2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid

C9H13N3O2 — CID 84666060

IUPAC2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)NCc1ncc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-5-8-11-3-7(4-12-8)9(13)14/h3-4,6,10H,5H2,1-2H3,(H,13,14)
InChIKeyIXPAJFVWSKTZRK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.67
Rot. Bonds4

About 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid

2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid (PubChem CID 84666060) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
PubChem CID84666060
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)NCc1ncc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-5-8-11-3-7(4-12-8)9(13)14/h3-4,6,10H,5H2,1-2H3,(H,13,14)
InChIKeyIXPAJFVWSKTZRK-UHFFFAOYSA-N
XLogP0.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
CID 84657807
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
3-ethyl-2-[(propan-2-ylamino)methyl]imidazole-4-carboxylic acid
CID 117188784
lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid
CID 159988088
2-(1,1-difluoropropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 127020420
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168708
2-(1-methylsulfonylethyl)pyrimidine-5-carboxylic acid
CID 116633406
3-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzoic acid
CID 118927518
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828

Frequently Asked Questions

What is the IUPAC name of 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid (CID 84666060) is 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid is CC(C)NCc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is IXPAJFVWSKTZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)10-5-8-11-3-7(4-12-8)9(13)14/h3-4,6,10H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84666060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).