4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine

C13H23N5 — CID 115263895

IUPAC4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)(CN)Nc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H23N5/c1-13(2,8-14)18-12-6-11(16-9-17-12)15-7-10-4-3-5-10/h6,9-10H,3-5,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQHCLGYPHULXKFY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds6

About 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine

4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine (PubChem CID 115263895) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
PubChem CID115263895
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)(CN)Nc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H23N5/c1-13(2,8-14)18-12-6-11(16-9-17-12)15-7-10-4-3-5-10/h6,9-10H,3-5,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQHCLGYPHULXKFY-UHFFFAOYSA-N
XLogP1.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine (CID 115263895) is 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine is CC(C)(CN)Nc1cc(NCC2CCC2)ncn1.
What is the InChIKey of 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The InChIKey is QHCLGYPHULXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,8-14)18-12-6-11(16-9-17-12)15-7-10-4-3-5-10/h6,9-10H,3-5,7-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115263895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).