6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C10H17N5 — CID 54592577

IUPAC6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CN)ncn1
InChIInChI=1S/C10H17N5/c1-12-9-5-10(14-7-13-9)15-4-2-3-8(15)6-11/h5,7-8H,2-4,6,11H2,1H3,(H,12,13,14)
InChIKeyZECYEEYVUPZUEP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds3

About 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 54592577) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID54592577
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CN)ncn1
InChIInChI=1S/C10H17N5/c1-12-9-5-10(14-7-13-9)15-4-2-3-8(15)6-11/h5,7-8H,2-4,6,11H2,1H3,(H,12,13,14)
InChIKeyZECYEEYVUPZUEP-UHFFFAOYSA-N
XLogP0.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 54592577) is 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCCC2CN)ncn1.
What is the InChIKey of 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is ZECYEEYVUPZUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-12-9-5-10(14-7-13-9)15-4-2-3-8(15)6-11/h5,7-8H,2-4,6,11H2,1H3,(H,12,13,14).
What are the key properties of 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 54592577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).