1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine

C9H16N4 — CID 63761938

IUPAC1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
SMILESCc1ccnc(N(C)CC(C)N)n1
InChIInChI=1S/C9H16N4/c1-7(10)6-13(3)9-11-5-4-8(2)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyQPYUFTKBOLXZPP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.57
Rot. Bonds3

About 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine

1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine (PubChem CID 63761938) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
PubChem CID63761938
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
SMILESCc1ccnc(N(C)CC(C)N)n1
InChIInChI=1S/C9H16N4/c1-7(10)6-13(3)9-11-5-4-8(2)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyQPYUFTKBOLXZPP-UHFFFAOYSA-N
XLogP0.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine (CID 63761938) is 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine is Cc1ccnc(N(C)CC(C)N)n1.
What is the InChIKey of 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is QPYUFTKBOLXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(10)6-13(3)9-11-5-4-8(2)12-9/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine?
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63761938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).