N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine

C12H20N4 — CID 62747924

IUPACN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-6-13-10-11-5-7-14-12(15-11)16-8-3-4-9-16/h5,7,13H,2-4,6,8-10H2,1H3
InChIKeyWRQHMVDNWZNUCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

About N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 62747924) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID62747924
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-6-13-10-11-5-7-14-12(15-11)16-8-3-4-9-16/h5,7,13H,2-4,6,8-10H2,1H3
InChIKeyWRQHMVDNWZNUCW-UHFFFAOYSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine (CID 62747924) is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1ccnc(N2CCCC2)n1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is WRQHMVDNWZNUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-6-13-10-11-5-7-14-12(15-11)16-8-3-4-9-16/h5,7,13H,2-4,6,8-10H2,1H3.
What are the key properties of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62747924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).