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

C16H28N4 — CID 80992701

IUPAC4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CCCCC1(C)C
InChIInChI=1S/C16H28N4/c1-10(2)14-19-13(17)11(3)15(20-14)18-12-8-6-7-9-16(12,4)5/h10,12H,6-9H2,1-5H3,(H3,17,18,19,20)
InChIKeyVIPWNFDROKXEEJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.87
Rot. Bonds3

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

4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80992701) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80992701
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CCCCC1(C)C
InChIInChI=1S/C16H28N4/c1-10(2)14-19-13(17)11(3)15(20-14)18-12-8-6-7-9-16(12,4)5/h10,12H,6-9H2,1-5H3,(H3,17,18,19,20)
InChIKeyVIPWNFDROKXEEJ-UHFFFAOYSA-N
XLogP3.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79870367
4-N-(2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992914
4-N-(3,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992735
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982082
[2-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80992379
[1-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80982746
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506658
4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
CID 80849472
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107165525

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80992701) is 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC1CCCCC1(C)C.
What is the InChIKey of 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VIPWNFDROKXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-10(2)14-19-13(17)11(3)15(20-14)18-12-8-6-7-9-16(12,4)5/h10,12H,6-9H2,1-5H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).