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

C13H20N6 — CID 115266382

IUPAC4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc[nH]2)cc(NC(C)(C)CN)n1
InChIInChI=1S/C13H20N6/c1-9-16-11(18-10-5-4-6-15-10)7-12(17-9)19-13(2,3)8-14/h4-7,15H,8,14H2,1-3H3,(H2,16,17,18,19)
InChIKeyLUPXOXJBRZOYCJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds5

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

4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (PubChem CID 115266382) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
PubChem CID115266382
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc[nH]2)cc(NC(C)(C)CN)n1
InChIInChI=1S/C13H20N6/c1-9-16-11(18-10-5-4-6-15-10)7-12(17-9)19-13(2,3)8-14/h4-7,15H,8,14H2,1-3H3,(H2,16,17,18,19)
InChIKeyLUPXOXJBRZOYCJ-UHFFFAOYSA-N
XLogP2.01
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 54
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)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (CID 115266382) is 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccc[nH]2)cc(NC(C)(C)CN)n1.
What is the InChIKey of 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is LUPXOXJBRZOYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-16-11(18-10-5-4-6-15-10)7-12(17-9)19-13(2,3)8-14/h4-7,15H,8,14H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 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)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).