N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine

C16H25F2N3 — CID 59943477

IUPACN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1
InChIInChI=1S/C16H25F2N3/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18/h13-14H,5-9H2,1-4H3,(H,19,20,21)
InChIKeyCOTADRULUCGYHC-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.42
Rot. Bonds4

About N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine

N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 59943477) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
PubChem CID59943477
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC NameN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1
InChIInChI=1S/C16H25F2N3/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18/h13-14H,5-9H2,1-4H3,(H,19,20,21)
InChIKeyCOTADRULUCGYHC-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
CID 135271021
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
6-Piperidin-4-yl-5-(1,1,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 68717547
5-Piperidin-4-yl-6-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 68717548
5-Piperidin-4-yl-6-(1,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 68717549
N-[(1S)-1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethyl]-2,2-difluoroethanamine
CID 88440521
N-[(1R)-1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethyl]-2,2-difluoroethanamine
CID 88440984
2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
CID 88906610
N-[(1R)-1-(4-ethyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethyl]-2,2-difluoroethanamine
CID 89938665

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine (CID 59943477) is N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine is Cc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1.
What is the InChIKey of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is COTADRULUCGYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18/h13-14H,5-9H2,1-4H3,(H,19,20,21).
What are the key properties of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine?
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 59943477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).