(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C19H24N8O2 — CID 118506240

IUPAC(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1
InChIInChI=1S/C19H24N8O2/c1-4-5-14(18(28)29)15(17-23-25-26-24-17)8-12-6-7-16(20-9-12)13-10-21-19(22-11-13)27(2)3/h6-7,9-11,14-15H,4-5,8H2,1-3H3,(H,28,29)(H,23,24,25,26)/t14-,15-/m0/s1
InChIKeySCVBOAMUTAOVHS-GJZGRUSLSA-N
MW396.46 g/mol
LogP1.94
Rot. Bonds9

About (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 118506240) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID118506240
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1
InChIInChI=1S/C19H24N8O2/c1-4-5-14(18(28)29)15(17-23-25-26-24-17)8-12-6-7-16(20-9-12)13-10-21-19(22-11-13)27(2)3/h6-7,9-11,14-15H,4-5,8H2,1-3H3,(H,28,29)(H,23,24,25,26)/t14-,15-/m0/s1
InChIKeySCVBOAMUTAOVHS-GJZGRUSLSA-N
XLogP1.94
TPSA133.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid 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)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 118506240) is (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCC[C@H](C(=O)O)[C@H](Cc1ccc(-c2cnc(N(C)C)nc2)nc1)c1nn[nH]n1.
What is the InChIKey of (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is SCVBOAMUTAOVHS-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-4-5-14(18(28)29)15(17-23-25-26-24-17)8-12-6-7-16(20-9-12)13-10-21-19(22-11-13)27(2)3/h6-7,9-11,14-15H,4-5,8H2,1-3H3,(H,28,29)(H,23,24,25,26)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
(2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 396.46 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-[6-[2-(dimethylamino)pyrimidin-5-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 118506240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).