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

C15H24N8 — CID 71681476

IUPAC4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C15H24N8/c1-10(2)3-4-11-9-13(23-15(17)21-11)19-8-7-18-12-5-6-20-14(16)22-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,16,18,20,22)(H3,17,19,21,23)
InChIKeyCZQVBLWNQGJAEL-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.54
Rot. Bonds8

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

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 71681476) has the molecular formula C15H24N8 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID71681476
Molecular FormulaC15H24N8
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C15H24N8/c1-10(2)3-4-11-9-13(23-15(17)21-11)19-8-7-18-12-5-6-20-14(16)22-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,16,18,20,22)(H3,17,19,21,23)
InChIKeyCZQVBLWNQGJAEL-UHFFFAOYSA-N
XLogP1.54
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.54
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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Related Compounds

2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-6-phenylpyrimidine-2,4-diamine
CID 44609412
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
2-(4-Pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16012369
N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44522097
4-(3-Methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 71551636
4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681641
4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]-6-phenylpyrimidine-2,4-diamine
CID 71681643
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 71681804
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
4-N-methyl-4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]-6-phenylpyrimidine-2,4-diamine
CID 71681808

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine (CID 71681476) is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1.
What is the InChIKey of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is CZQVBLWNQGJAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8/c1-10(2)3-4-11-9-13(23-15(17)21-11)19-8-7-18-12-5-6-20-14(16)22-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,16,18,20,22)(H3,17,19,21,23).
What are the key properties of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 1.54, 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-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71681476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).