(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid

C12H20N4O2 — CID 122049164

IUPAC(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1ccnc(N(C)C)n1)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-8(2)7-9(11(17)18)14-10-5-6-13-12(15-10)16(3)4/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H,13,14,15)/t9-/m1/s1
InChIKeyZWXIPCCZFVFOAV-SECBINFHSA-N
MW252.32 g/mol
LogP1.45
Rot. Bonds6

About (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid (PubChem CID 122049164) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
PubChem CID122049164
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1ccnc(N(C)C)n1)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-8(2)7-9(11(17)18)14-10-5-6-13-12(15-10)16(3)4/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H,13,14,15)/t9-/m1/s1
InChIKeyZWXIPCCZFVFOAV-SECBINFHSA-N
XLogP1.45
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186
(2S)-2-[(2-benzylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050124
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 122062545
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483
2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829275
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
CID 65226729
2-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64829261
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80904150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid (CID 122049164) is (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](Nc1ccnc(N(C)C)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The InChIKey is ZWXIPCCZFVFOAV-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)7-9(11(17)18)14-10-5-6-13-12(15-10)16(3)4/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H,13,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122049164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).