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

C15H26N4 — CID 80959178

IUPAC4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-10(2)14-18-12(16)9-13(19-14)17-11-5-7-15(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H3,16,17,18,19)
InChIKeyIEBXGVMFLMLAPS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.56
Rot. Bonds3

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

4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80959178) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80959178
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-10(2)14-18-12(16)9-13(19-14)17-11-5-7-15(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H3,16,17,18,19)
InChIKeyIEBXGVMFLMLAPS-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065324
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80959212
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80959178) is 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is IEBXGVMFLMLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-10(2)14-18-12(16)9-13(19-14)17-11-5-7-15(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).