4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid

C13H20N4O2 — CID 114214864

IUPAC4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NCC(C)N(C)C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-8(17(3)10-4-5-10)6-15-12-11(13(18)19)7-14-9(2)16-12/h7-8,10H,4-6H2,1-3H3,(H,18,19)(H,14,15,16)
InChIKeyFHKJMFHRBKTKOQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.38
Rot. Bonds6

About 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid

4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114214864) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID114214864
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NCC(C)N(C)C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-8(17(3)10-4-5-10)6-15-12-11(13(18)19)7-14-9(2)16-12/h7-8,10H,4-6H2,1-3H3,(H,18,19)(H,14,15,16)
InChIKeyFHKJMFHRBKTKOQ-UHFFFAOYSA-N
XLogP1.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
CID 114132746
2-methyl-4-(2,2,3-trimethylbutylamino)pyrimidine-5-carboxylic acid
CID 115148837
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
4-(2,2-dimethylpropylamino)-2-methylpyrimidine-5-carboxylic acid
CID 115148776
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
CID 114133019
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214465
2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
CID 83838220
6-[2-[cyclopropyl(methyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 103718448
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 114133461
2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 114134123

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid (CID 114214864) is 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(NCC(C)N(C)C2CC2)n1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is FHKJMFHRBKTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(17(3)10-4-5-10)6-15-12-11(13(18)19)7-14-9(2)16-12/h7-8,10H,4-6H2,1-3H3,(H,18,19)(H,14,15,16).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid?
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).