6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine

C10H17ClN4 — CID 78971397

IUPAC6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(Nc1cc(Cl)nc(N)n1)C(C)C
InChIInChI=1S/C10H17ClN4/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXLIWVLWZXFKDNC-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine (PubChem CID 78971397) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
PubChem CID78971397
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(Nc1cc(Cl)nc(N)n1)C(C)C
InChIInChI=1S/C10H17ClN4/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXLIWVLWZXFKDNC-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.56
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-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine (CID 78971397) is 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine is CCC(Nc1cc(Cl)nc(N)n1)C(C)C.
What is the InChIKey of 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is XLIWVLWZXFKDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 78971397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).