1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

C15H20N6 — CID 77235789

IUPAC1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccnc(C(N)c3ccccn3)n2)C1
InChIInChI=1S/C15H20N6/c1-17-11-6-9-21(10-11)13-5-8-19-15(20-13)14(16)12-4-2-3-7-18-12/h2-5,7-8,11,14,17H,6,9-10,16H2,1H3
InChIKeyDGETWDKIAFQMCV-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.72
Rot. Bonds4

About 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (PubChem CID 77235789) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
PubChem CID77235789
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccnc(C(N)c3ccccn3)n2)C1
InChIInChI=1S/C15H20N6/c1-17-11-6-9-21(10-11)13-5-8-19-15(20-13)14(16)12-4-2-3-7-18-12/h2-5,7-8,11,14,17H,6,9-10,16H2,1H3
InChIKeyDGETWDKIAFQMCV-UHFFFAOYSA-N
XLogP0.72
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (CID 77235789) is 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2ccnc(C(N)c3ccccn3)n2)C1.
What is the InChIKey of 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is DGETWDKIAFQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-17-11-6-9-21(10-11)13-5-8-19-15(20-13)14(16)12-4-2-3-7-18-12/h2-5,7-8,11,14,17H,6,9-10,16H2,1H3.
What are the key properties of 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 284.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 77235789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).