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

C14H23F3N4 — CID 80983476

IUPAC4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C14H23F3N4/c1-5-8-18-12-10(4)13(20-11(6-2)19-12)21(7-3)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20)
InChIKeyCLXGJZYGFVFGAX-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.56
Rot. Bonds7

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

4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80983476) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80983476
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C14H23F3N4/c1-5-8-18-12-10(4)13(20-11(6-2)19-12)21(7-3)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20)
InChIKeyCLXGJZYGFVFGAX-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80987908
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
4-N-cyclopropyl-6-N,2-diethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983604
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80995206
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179265

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80983476) is 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1nc(CC)nc(N(CC)CC(F)(F)F)c1C.
What is the InChIKey of 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is CLXGJZYGFVFGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-8-18-12-10(4)13(20-11(6-2)19-12)21(7-3)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).