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

C11H19ClN4 — CID 63925085

IUPAC6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H19ClN4/c1-7(2)4-5-8(3)16-11-9(13)10(12)14-6-15-11/h6-8H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyCABSQWWJLPTPGQ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.95
Rot. Bonds5

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

6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine (PubChem CID 63925085) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
PubChem CID63925085
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H19ClN4/c1-7(2)4-5-8(3)16-11-9(13)10(12)14-6-15-11/h6-8H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyCABSQWWJLPTPGQ-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine (CID 63925085) is 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine is CC(C)CCC(C)Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is CABSQWWJLPTPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-7(2)4-5-8(3)16-11-9(13)10(12)14-6-15-11/h6-8H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63925085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).