6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine

C12H21ClN4 — CID 63022217

IUPAC6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H21ClN4/c1-8(2)5-4-6-9(3)17-12-10(14)11(13)15-7-16-12/h7-9H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyXTQXEVFLEJOELX-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.34
Rot. Bonds6

About 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine

6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine (PubChem CID 63022217) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
PubChem CID63022217
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H21ClN4/c1-8(2)5-4-6-9(3)17-12-10(14)11(13)15-7-16-12/h7-9H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyXTQXEVFLEJOELX-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
CID 63024122
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
CID 131878005
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
CID 66281281
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83187973
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine (CID 63022217) is 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine is CC(C)CCCC(C)Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is XTQXEVFLEJOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-8(2)5-4-6-9(3)17-12-10(14)11(13)15-7-16-12/h7-9H,4-6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63022217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).