N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine

C14H24N4 — CID 113329208

IUPACN-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1nccc(C2C(CNC(C)C)CCN2C)n1
InChIInChI=1S/C14H24N4/c1-10(2)16-9-12-6-8-18(4)14(12)13-5-7-15-11(3)17-13/h5,7,10,12,14,16H,6,8-9H2,1-4H3
InChIKeyCTFHHGQPQBUEBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds4

About N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 113329208) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID113329208
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1nccc(C2C(CNC(C)C)CCN2C)n1
InChIInChI=1S/C14H24N4/c1-10(2)16-9-12-6-8-18(4)14(12)13-5-7-15-11(3)17-13/h5,7,10,12,14,16H,6,8-9H2,1-4H3
InChIKeyCTFHHGQPQBUEBH-UHFFFAOYSA-N
XLogP1.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 113329208) is N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine is Cc1nccc(C2C(CNC(C)C)CCN2C)n1.
What is the InChIKey of N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is CTFHHGQPQBUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)16-9-12-6-8-18(4)14(12)13-5-7-15-11(3)17-13/h5,7,10,12,14,16H,6,8-9H2,1-4H3.
What are the key properties of N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 113329208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).