2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine

C12H22N4 — CID 80838338

IUPAC2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)CCC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-6-9(3)14-12-7-11(13)15-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyFZTMDZVLVMANOE-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine

2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80838338) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
PubChem CID80838338
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)CCC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-6-9(3)14-12-7-11(13)15-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyFZTMDZVLVMANOE-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
4-N-[4-(dimethylamino)butan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960568
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine (CID 80838338) is 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NC(C)CCC(C)C)n1.
What is the InChIKey of 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is FZTMDZVLVMANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)5-6-9(3)14-12-7-11(13)15-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine?
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80838338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).