2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid

C11H18N4O2 — CID 65226729

IUPAC2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc(N(C)C)n1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-4-8(10(16)17)7-13-9-5-6-12-11(14-9)15(2)3/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyNWWXJXZJSVLUMI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.07
Rot. Bonds6

About 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid

2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid (PubChem CID 65226729) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
PubChem CID65226729
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc(N(C)C)n1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-4-8(10(16)17)7-13-9-5-6-12-11(14-9)15(2)3/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyNWWXJXZJSVLUMI-UHFFFAOYSA-N
XLogP1.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
CID 64830641
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
CID 104925840
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732
3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65266280
4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 64830834
2-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 65224429
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid (CID 65226729) is 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid is CCC(CNc1ccnc(N(C)C)n1)C(=O)O.
What is the InChIKey of 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid?
The InChIKey is NWWXJXZJSVLUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-8(10(16)17)7-13-9-5-6-12-11(14-9)15(2)3/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid?
2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid is sourced from PubChem (CID 65226729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).