N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine

C13H22N4 — CID 55114190

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10(2)14-9-12-8-11(3)15-13(16-12)17-6-4-5-7-17/h8,10,14H,4-7,9H2,1-3H3
InChIKeyBCNDVHCMJKSOOL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.88
Rot. Bonds4

About N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 55114190) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
PubChem CID55114190
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10(2)14-9-12-8-11(3)15-13(16-12)17-6-4-5-7-17/h8,10,14H,4-7,9H2,1-3H3
InChIKeyBCNDVHCMJKSOOL-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 126817901
4-fluoro-2-[1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 126808777
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 154745874
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine (CID 55114190) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is BCNDVHCMJKSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)14-9-12-8-11(3)15-13(16-12)17-6-4-5-7-17/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 55114190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).