4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H21F3N4 — CID 80983604

IUPAC4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-11-19-12(18-5-2)9(3)13(20-11)21(10-6-7-10)8-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyIKOAGNDJKBOFMK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.31
Rot. Bonds6

About 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80983604) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80983604
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-11-19-12(18-5-2)9(3)13(20-11)21(10-6-7-10)8-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyIKOAGNDJKBOFMK-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-cyclopropyl-N,2-diethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81001386
4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983476
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80995206
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
4-N-cyclopropyl-6-N-ethyl-5-nitro-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80789522
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
2-[cyclobutyl-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]ethanol
CID 102875765
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815200
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80984961
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80983604) is 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1nc(CC)nc(N(CC(F)(F)F)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is IKOAGNDJKBOFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-11-19-12(18-5-2)9(3)13(20-11)21(10-6-7-10)8-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).