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

C9H15ClN4 — CID 21433273

IUPAC6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4/c1-6(2)3-4-12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyFIMJEDPJWFALRK-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.17
Rot. Bonds4

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

6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 21433273) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID21433273
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4/c1-6(2)3-4-12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyFIMJEDPJWFALRK-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.17
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-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 21433273) is 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is FIMJEDPJWFALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-6(2)3-4-12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.17, 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-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 21433273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).