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

C15H26N4 — CID 80840974

IUPAC4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC1CC(C)CC(Nc2ncnc(N)c2C(C)C)C1
InChIInChI=1S/C15H26N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-10(3)5-11(4)7-12/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyRCHCMBAKFDSGEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds3

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

4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80840974) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80840974
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC1CC(C)CC(Nc2ncnc(N)c2C(C)C)C1
InChIInChI=1S/C15H26N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-10(3)5-11(4)7-12/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyRCHCMBAKFDSGEZ-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782403
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
CID 114112585
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
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805013
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 104830574
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-(2,2-dimethylhydrazinyl)-5-propan-2-ylpyrimidin-4-amine
CID 83027191
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80840974) is 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC1CC(C)CC(Nc2ncnc(N)c2C(C)C)C1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RCHCMBAKFDSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-10(3)5-11(4)7-12/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).