5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H23N3O2 — CID 62086334

IUPAC5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCCCN(c1cnc(C(C)C)nc1C(=O)O)C1CC1
InChIInChI=1S/C15H23N3O2/c1-4-5-8-18(11-6-7-11)12-9-16-14(10(2)3)17-13(12)15(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKeyFOHAIKZORCRNGL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.07
Rot. Bonds7

About 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62086334) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62086334
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCCCN(c1cnc(C(C)C)nc1C(=O)O)C1CC1
InChIInChI=1S/C15H23N3O2/c1-4-5-8-18(11-6-7-11)12-9-16-14(10(2)3)17-13(12)15(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKeyFOHAIKZORCRNGL-UHFFFAOYSA-N
XLogP3.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087221
5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 102993982
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087770
4-[butyl(methyl)amino]-2-propan-2-ylpyrimidine-5-carboxylic acid
CID 112518865
2-propan-2-yl-5-(4-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 62204554
5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62083995
5-[2-cyanoethyl(2-methylpropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088482
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539546
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 83044088

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62086334) is 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CCCCN(c1cnc(C(C)C)nc1C(=O)O)C1CC1.
What is the InChIKey of 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is FOHAIKZORCRNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-8-18(11-6-7-11)12-9-16-14(10(2)3)17-13(12)15(19)20/h9-11H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).