4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid

C11H17N5O3 — CID 122091891

IUPAC4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid
SMILESCN(C)c1cc(NC(=O)NCCCC(=O)O)ncn1
InChIInChI=1S/C11H17N5O3/c1-16(2)9-6-8(13-7-14-9)15-11(19)12-5-3-4-10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,13,14,15,19)
InChIKeyUZNJJKQSPYBYPE-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.53
Rot. Bonds6

About 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid

4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid (PubChem CID 122091891) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid
PubChem CID122091891
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid
SMILESCN(C)c1cc(NC(=O)NCCCC(=O)O)ncn1
InChIInChI=1S/C11H17N5O3/c1-16(2)9-6-8(13-7-14-9)15-11(19)12-5-3-4-10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,13,14,15,19)
InChIKeyUZNJJKQSPYBYPE-UHFFFAOYSA-N
XLogP0.53
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[6-(dimethylamino)pyrimidin-4-yl]carbamoyl-methylamino]propanoic acid
CID 122091894
4-[[4-(dimethylamino)-6-methoxypyrimidin-5-yl]carbamoylamino]butanoic acid
CID 122087086
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
CID 154770340
4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122089424
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
4-[(3,5-dihydroxyphenyl)carbamoylamino]butanoic acid
CID 108895385
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[(3S)-2,2-dimethyl-1,1-dioxothietan-3-yl]urea
CID 126831382
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid (CID 122091891) is 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid is CN(C)c1cc(NC(=O)NCCCC(=O)O)ncn1.
What is the InChIKey of 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid?
The InChIKey is UZNJJKQSPYBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-16(2)9-6-8(13-7-14-9)15-11(19)12-5-3-4-10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,13,14,15,19).
What are the key properties of 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid?
4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122091891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).