5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C13H17N5O2 — CID 62088124

IUPAC5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCc2cnn(C)c2)c(C(=O)O)n1
InChIInChI=1S/C13H17N5O2/c1-8(2)12-15-6-10(11(17-12)13(19)20)14-4-9-5-16-18(3)7-9/h5-8,14H,4H2,1-3H3,(H,19,20)
InChIKeyMTXSWKOCKVNSJQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds5

About 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62088124) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62088124
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCc2cnn(C)c2)c(C(=O)O)n1
InChIInChI=1S/C13H17N5O2/c1-8(2)12-15-6-10(11(17-12)13(19)20)14-4-9-5-16-18(3)7-9/h5-8,14H,4H2,1-3H3,(H,19,20)
InChIKeyMTXSWKOCKVNSJQ-UHFFFAOYSA-N
XLogP1.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
2-propan-2-yl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-4-carboxylic acid
CID 63825023
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
5-[2-(2-amino-2-oxoethoxy)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 106237962
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
5-[(2-methylthiolan-2-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 80738151
3-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-yloxybenzoic acid
CID 166237731
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088661

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62088124) is 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(NCc2cnn(C)c2)c(C(=O)O)n1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is MTXSWKOCKVNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)12-15-6-10(11(17-12)13(19)20)14-4-9-5-16-18(3)7-9/h5-8,14H,4H2,1-3H3,(H,19,20).
What are the key properties of 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62088124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).