2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid

C12H19N3O2 — CID 83181799

IUPAC2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCCCN(CCC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-15(7-5-2)12-13-8-10(11(16)17)9(3)14-12/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyPLEQDXNUUMHBNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.11
Rot. Bonds6

About 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid

2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181799) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181799
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCCCN(CCC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-15(7-5-2)12-13-8-10(11(16)17)9(3)14-12/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyPLEQDXNUUMHBNW-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
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-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
CID 83181767
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid (CID 83181799) is 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid is CCCN(CCC)c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is PLEQDXNUUMHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-6-15(7-5-2)12-13-8-10(11(16)17)9(3)14-12/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).