6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80961821

IUPAC6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCCC2C)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-11(2)16-19-14(17-4)9-15(20-16)18-10-13-8-6-5-7-12(13)3/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyVEHYTYPKXFRQHK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.88
Rot. Bonds5

About 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961821) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961821
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCCC2C)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-11(2)16-19-14(17-4)9-15(20-16)18-10-13-8-6-5-7-12(13)3/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyVEHYTYPKXFRQHK-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
6-N-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107421207
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 81046838
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966709
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961821) is 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NCC2CCCCC2C)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VEHYTYPKXFRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11(2)16-19-14(17-4)9-15(20-16)18-10-13-8-6-5-7-12(13)3/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).