(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide

C14H23N5O — CID 95208927

IUPAC(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H23N5O/c1-11(13(20)15-2)18(3)10-12-8-16-14(17-9-12)19-6-4-5-7-19/h8-9,11H,4-7,10H2,1-3H3,(H,15,20)/t11-/m0/s1
InChIKeyVBIABTGANAAVDG-NSHDSACASA-N
MW277.37 g/mol
LogP0.64
Rot. Bonds5

About (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide

(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide (PubChem CID 95208927) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide
PubChem CID95208927
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H23N5O/c1-11(13(20)15-2)18(3)10-12-8-16-14(17-9-12)19-6-4-5-7-19/h8-9,11H,4-7,10H2,1-3H3,(H,15,20)/t11-/m0/s1
InChIKeyVBIABTGANAAVDG-NSHDSACASA-N
XLogP0.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide (CID 95208927) is (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide is CNC(=O)[C@H](C)N(C)Cc1cnc(N2CCCC2)nc1.
What is the InChIKey of (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide?
The InChIKey is VBIABTGANAAVDG-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(13(20)15-2)18(3)10-12-8-16-14(17-9-12)19-6-4-5-7-19/h8-9,11H,4-7,10H2,1-3H3,(H,15,20)/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide?
(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide is sourced from PubChem (CID 95208927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).