5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H26N4O2 — CID 102993982

IUPAC5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN(CCCN(C)C)c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C15H26N4O2/c1-6-19(9-7-8-18(4)5)12-10-16-14(11(2)3)17-13(12)15(20)21/h10-11H,6-9H2,1-5H3,(H,20,21)
InChIKeyFUZBSCUUQYIYKK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds8

About 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 102993982) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID102993982
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN(CCCN(C)C)c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C15H26N4O2/c1-6-19(9-7-8-18(4)5)12-10-16-14(11(2)3)17-13(12)15(20)21/h10-11H,6-9H2,1-5H3,(H,20,21)
InChIKeyFUZBSCUUQYIYKK-UHFFFAOYSA-N
XLogP2.08
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087770
5-[ethyl(propan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087221
5-[2-cyanoethyl(2-methylpropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088482
5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087048
5-[butyl(cyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086334
5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62083995
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid
CID 102993989
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
4-[butyl(methyl)amino]-2-propan-2-ylpyrimidine-5-carboxylic acid
CID 112518865

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 102993982) is 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CCN(CCCN(C)C)c1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is FUZBSCUUQYIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-19(9-7-8-18(4)5)12-10-16-14(11(2)3)17-13(12)15(20)21/h10-11H,6-9H2,1-5H3,(H,20,21).
What are the key properties of 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 102993982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).