4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine

C15H23ClN8 — CID 71681641

IUPAC4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1
InChIInChI=1S/C15H23ClN8/c1-9(2)3-4-10-7-12(23-14(17)21-10)19-5-6-20-13-8-11(16)22-15(18)24-13/h7-9H,3-6H2,1-2H3,(H3,17,19,21,23)(H3,18,20,22,24)
InChIKeyUETHXGLSYDANDF-UHFFFAOYSA-N
MW350.86 g/mol
LogP2.20
Rot. Bonds8

About 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine

4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 71681641) has the molecular formula C15H23ClN8 and a molecular weight of 350.86 g/mol. Its IUPAC name is 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID71681641
Molecular FormulaC15H23ClN8
Molecular Weight350.86 g/mol
Exact Mass350.17
IUPAC Name4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1
InChIInChI=1S/C15H23ClN8/c1-9(2)3-4-10-7-12(23-14(17)21-10)19-5-6-20-13-8-11(16)22-15(18)24-13/h7-9H,3-6H2,1-2H3,(H3,17,19,21,23)(H3,18,20,22,24)
InChIKeyUETHXGLSYDANDF-UHFFFAOYSA-N
XLogP2.20
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine (CID 71681641) is 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1.
What is the InChIKey of 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is UETHXGLSYDANDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN8/c1-9(2)3-4-10-7-12(23-14(17)21-10)19-5-6-20-13-8-11(16)22-15(18)24-13/h7-9H,3-6H2,1-2H3,(H3,17,19,21,23)(H3,18,20,22,24).
What are the key properties of 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 350.86 g/mol, XLogP of 2.20, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71681641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).