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

C16H26N8 — CID 71681807

IUPAC4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C16H26N8/c1-11(2)4-5-12-10-14(23-16(18)21-12)24(3)9-8-19-13-6-7-20-15(17)22-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21,23)(H3,17,19,20,22)
InChIKeyVOUKROASRLVEBK-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.57
Rot. Bonds8

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

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 71681807) has the molecular formula C16H26N8 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID71681807
Molecular FormulaC16H26N8
Molecular Weight330.44 g/mol
Exact Mass330.23
IUPAC Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C16H26N8/c1-11(2)4-5-12-10-14(23-16(18)21-12)24(3)9-8-19-13-6-7-20-15(17)22-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21,23)(H3,17,19,20,22)
InChIKeyVOUKROASRLVEBK-UHFFFAOYSA-N
XLogP1.57
TPSA118.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine (CID 71681807) is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1.
What is the InChIKey of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is VOUKROASRLVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8/c1-11(2)4-5-12-10-14(23-16(18)21-12)24(3)9-8-19-13-6-7-20-15(17)22-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21,23)(H3,17,19,20,22).
What are the key properties of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71681807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).