4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine

C13H20N6 — CID 115265936

IUPAC4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
SMILESCN(CC(C)(C)N)c1cc(Nc2cc[nH]c2)ncn1
InChIInChI=1S/C13H20N6/c1-13(2,14)8-19(3)12-6-11(16-9-17-12)18-10-4-5-15-7-10/h4-7,9,15H,8,14H2,1-3H3,(H,16,17,18)
InChIKeyWDWMJAXYWCJFQR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds5

About 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine

4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine (PubChem CID 115265936) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
PubChem CID115265936
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
SMILESCN(CC(C)(C)N)c1cc(Nc2cc[nH]c2)ncn1
InChIInChI=1S/C13H20N6/c1-13(2,14)8-19(3)12-6-11(16-9-17-12)18-10-4-5-15-7-10/h4-7,9,15H,8,14H2,1-3H3,(H,16,17,18)
InChIKeyWDWMJAXYWCJFQR-UHFFFAOYSA-N
XLogP1.72
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine (CID 115265936) is 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine is CN(CC(C)(C)N)c1cc(Nc2cc[nH]c2)ncn1.
What is the InChIKey of 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is WDWMJAXYWCJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-13(2,14)8-19(3)12-6-11(16-9-17-12)18-10-4-5-15-7-10/h4-7,9,15H,8,14H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115265936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).