2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

C16H20ClF3N8O — CID 143975382

IUPAC2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESC=C(Cl)N(CC(F)(F)F)c1nc(C2=CNC(N)N=C2)nc(N2CCOCC2)c1N
InChIInChI=1S/C16H20ClF3N8O/c1-9(17)28(8-16(18,19)20)14-11(21)13(27-2-4-29-5-3-27)25-12(26-14)10-6-23-15(22)24-7-10/h6-7,15,23H,1-5,8,21-22H2
InChIKeyBHNYUKSMIKCUBO-UHFFFAOYSA-N
MW432.84 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (PubChem CID 143975382) has the molecular formula C16H20ClF3N8O and a molecular weight of 432.84 g/mol. Its IUPAC name is 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
PubChem CID143975382
Molecular FormulaC16H20ClF3N8O
Molecular Weight432.84 g/mol
Exact Mass432.14
IUPAC Name2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESC=C(Cl)N(CC(F)(F)F)c1nc(C2=CNC(N)N=C2)nc(N2CCOCC2)c1N
InChIInChI=1S/C16H20ClF3N8O/c1-9(17)28(8-16(18,19)20)14-11(21)13(27-2-4-29-5-3-27)25-12(26-14)10-6-23-15(22)24-7-10/h6-7,15,23H,1-5,8,21-22H2
InChIKeyBHNYUKSMIKCUBO-UHFFFAOYSA-N
XLogP1.23
TPSA117.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.84
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

2-(2-aminopyrimidin-5-yl)-4-N-[1-[(3R)-3,5-dimethylpiperazin-1-yl]ethenyl]-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 163417785
2-(2-aminopyrimidin-1-ium-5-yl)-6-morpholin-4-yl-4-N-(1-piperazin-1-ylethenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 163738927
2-(2-aminopyrimidin-5-yl)-5-(methylideneamino)-N-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 143975440
7-[8-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]-4,5-dihydroazocin-2-amine
CID 162558826
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine
CID 142517931
3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3,4-dihydropyridin-6-amine
CID 159188839
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 66913072
5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine
CID 165385756
5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 155530040

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (CID 143975382) is 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is C=C(Cl)N(CC(F)(F)F)c1nc(C2=CNC(N)N=C2)nc(N2CCOCC2)c1N.
What is the InChIKey of 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The InChIKey is BHNYUKSMIKCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N8O/c1-9(17)28(8-16(18,19)20)14-11(21)13(27-2-4-29-5-3-27)25-12(26-14)10-6-23-15(22)24-7-10/h6-7,15,23H,1-5,8,21-22H2.
What are the key properties of 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine has a molecular weight of 432.84 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,2-dihydropyrimidin-5-yl)-4-N-(1-chloroethenyl)-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 143975382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).