2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine

C18H17ClF3N5O2 — CID 68755406

IUPAC2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
InChIInChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)
InChIKeyWHFIWINTCCNYQZ-UHFFFAOYSA-N
MW427.81 g/mol
LogP4.43
Rot. Bonds5

About 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine

2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 68755406) has the molecular formula C18H17ClF3N5O2 and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID68755406
Molecular FormulaC18H17ClF3N5O2
Molecular Weight427.81 g/mol
Exact Mass427.10
IUPAC Name2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
InChIInChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)
InChIKeyWHFIWINTCCNYQZ-UHFFFAOYSA-N
XLogP4.43
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-furo[3,2-d]pyrimidin-4-yl-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 145993512
N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 122191212
N-(1-benzylpiperidin-4-yl)-2-piperidin-1-ylfuro[3,2-d]pyrimidin-4-amine
CID 122191213
N-(2-Chloro-4-fluorophenyl)-4-(4-morpholinyl)[1]benzofuro[3,2-D]pyrimidine-2-carboxamide
CID 53010528
4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67130029
4-N-cyclopropyl-2-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidine-2,4-diamine
CID 68755414
N-((1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl)methyl)-2,2-difluoroethanamine
CID 86665099
2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine
CID 86665114
2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
CID 86665115
7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one
CID 87560611
N-[4-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 87561158
N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine
CID 87561210

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine (CID 68755406) is 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12.
What is the InChIKey of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is WHFIWINTCCNYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26).
What are the key properties of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 427.81 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68755406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).