(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid

C12H20N4O2 — CID 95003304

IUPAC(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid
SMILESCNc1ncc(CN[C@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O2/c1-8(2)4-10(11(17)18)14-5-9-6-15-12(13-3)16-7-9/h6-8,10,14H,4-5H2,1-3H3,(H,17,18)(H,13,15,16)/t10-/m1/s1
InChIKeyBDWZLAZICXOLMH-SNVBAGLBSA-N
MW252.32 g/mol
LogP1.11
Rot. Bonds7

About (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid

(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid (PubChem CID 95003304) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid
PubChem CID95003304
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid
SMILESCNc1ncc(CN[C@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O2/c1-8(2)4-10(11(17)18)14-5-9-6-15-12(13-3)16-7-9/h6-8,10,14H,4-5H2,1-3H3,(H,17,18)(H,13,15,16)/t10-/m1/s1
InChIKeyBDWZLAZICXOLMH-SNVBAGLBSA-N
XLogP1.11
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(3,4,5-trifluorophenyl)methylamino]pentanoic acid
CID 55146013
(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
CID 122037106
(2S)-4-methylsulfanyl-2-[[2-(propan-2-ylamino)pyrimidin-5-yl]methylamino]butanoic acid
CID 95003313
2-[[4-(carboxymethoxy)phenyl]methylamino]-4-methylpentanoic acid
CID 102535707
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
(2R)-2-[(3-iodophenyl)methylamino]-4-methylpentanoic acid
CID 122037416
4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid
CID 122044126
2-[[2-(ethylamino)pyrimidin-5-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 102536302
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
2-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528389

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid (CID 95003304) is (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid is CNc1ncc(CN[C@H](CC(C)C)C(=O)O)cn1.
What is the InChIKey of (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid?
The InChIKey is BDWZLAZICXOLMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)4-10(11(17)18)14-5-9-6-15-12(13-3)16-7-9/h6-8,10,14H,4-5H2,1-3H3,(H,17,18)(H,13,15,16)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid?
(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid is sourced from PubChem (CID 95003304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).