4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine

C13H25N5 — CID 115265922

IUPAC4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCC(CN)N(C)c1cc(NCC(C)(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-10(7-14)18(5)12-6-11(16-9-17-12)15-8-13(2,3)4/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17)
InChIKeyXJGDCHJFYNZUSP-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.72
Rot. Bonds5

About 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine

4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 115265922) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID115265922
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCC(CN)N(C)c1cc(NCC(C)(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-10(7-14)18(5)12-6-11(16-9-17-12)15-8-13(2,3)4/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17)
InChIKeyXJGDCHJFYNZUSP-UHFFFAOYSA-N
XLogP1.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine (CID 115265922) is 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine is CC(CN)N(C)c1cc(NCC(C)(C)C)ncn1.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is XJGDCHJFYNZUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(7-14)18(5)12-6-11(16-9-17-12)15-8-13(2,3)4/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).