2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid

C10H15N3O4 — CID 83181146

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N(CCO)CCO)ncc1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-7-8(9(16)17)6-11-10(12-7)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3,(H,16,17)
InChIKeyOVYUHBGGRVBESP-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.73
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181146) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181146
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N(CCO)CCO)ncc1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-7-8(9(16)17)6-11-10(12-7)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3,(H,16,17)
InChIKeyOVYUHBGGRVBESP-UHFFFAOYSA-N
XLogP-0.73
TPSA106.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
CID 83181767
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181099

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 83181146) is 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(N(CCO)CCO)ncc1C(=O)O.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is OVYUHBGGRVBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-8(9(16)17)6-11-10(12-7)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).