N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine

C14H21F2N3 — CID 166783777

IUPACN-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCCN(CC1CCC(C)CC1)c1ncnc(F)c1F
InChIInChI=1S/C14H21F2N3/c1-3-19(8-11-6-4-10(2)5-7-11)14-12(15)13(16)17-9-18-14/h9-11H,3-8H2,1-2H3
InChIKeyNHMXSBGNUHFTDK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.41
Rot. Bonds4

About N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine

N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 166783777) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID166783777
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCCN(CC1CCC(C)CC1)c1ncnc(F)c1F
InChIInChI=1S/C14H21F2N3/c1-3-19(8-11-6-4-10(2)5-7-11)14-12(15)13(16)17-9-18-14/h9-11H,3-8H2,1-2H3
InChIKeyNHMXSBGNUHFTDK-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 166783777) is N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine is CCN(CC1CCC(C)CC1)c1ncnc(F)c1F.
What is the InChIKey of N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is NHMXSBGNUHFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-3-19(8-11-6-4-10(2)5-7-11)14-12(15)13(16)17-9-18-14/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-difluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 166783777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).