4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine

C14H24N4 — CID 80782403

IUPAC4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC1CCCC(Nc2ncnc(N)c2C(C)C)C1
InChIInChI=1S/C14H24N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18)
InChIKeyRWHGJPPQRIAMRM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds3

About 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80782403) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80782403
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC1CCCC(Nc2ncnc(N)c2C(C)C)C1
InChIInChI=1S/C14H24N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18)
InChIKeyRWHGJPPQRIAMRM-UHFFFAOYSA-N
XLogP3.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80840974
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805013
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114241708
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
CID 114112585
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80783931
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80782403) is 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC1CCCC(Nc2ncnc(N)c2C(C)C)C1.
What is the InChIKey of 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RWHGJPPQRIAMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).