2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid

C11H17N5O3 — CID 83184782

IUPAC2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCNC(=O)N(C)C)ncc1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-7-8(9(17)18)6-14-10(15-7)12-4-5-13-11(19)16(2)3/h6H,4-5H2,1-3H3,(H,13,19)(H,17,18)(H,12,14,15)
InChIKeyYGSGQVGZBPNEFG-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.17
Rot. Bonds5

About 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid

2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83184782) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83184782
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCNC(=O)N(C)C)ncc1C(=O)O
InChIInChI=1S/C11H17N5O3/c1-7-8(9(17)18)6-14-10(15-7)12-4-5-13-11(19)16(2)3/h6H,4-5H2,1-3H3,(H,13,19)(H,17,18)(H,12,14,15)
InChIKeyYGSGQVGZBPNEFG-UHFFFAOYSA-N
XLogP0.17
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.17
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

4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182016
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
3-[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118369
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890
3-[2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83117722
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83184782) is 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCCNC(=O)N(C)C)ncc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is YGSGQVGZBPNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7-8(9(17)18)6-14-10(15-7)12-4-5-13-11(19)16(2)3/h6H,4-5H2,1-3H3,(H,13,19)(H,17,18)(H,12,14,15).
What are the key properties of 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83184782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).