1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C16H22N6O2 — CID 56908938

IUPAC1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3nccc(N)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)12-4-8-22(20-12)16(14(23)24)5-9-21(10-6-16)15-18-7-3-13(17)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,23,24)(H2,17,18,19)
InChIKeyUIRFGUQSEFGVLJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.46
Rot. Bonds4

About 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56908938) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56908938
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3nccc(N)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)12-4-8-22(20-12)16(14(23)24)5-9-21(10-6-16)15-18-7-3-13(17)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,23,24)(H2,17,18,19)
InChIKeyUIRFGUQSEFGVLJ-UHFFFAOYSA-N
XLogP1.46
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56891386
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901181
1-(4-aminopyrimidin-2-yl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
CID 56870301
1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70760438
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine
CID 99646503
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56908938) is 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(c3nccc(N)n3)CC2)n1.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is UIRFGUQSEFGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)12-4-8-22(20-12)16(14(23)24)5-9-21(10-6-16)15-18-7-3-13(17)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,23,24)(H2,17,18,19).
What are the key properties of 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).