1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol

C17H20N6O — CID 166128713

IUPAC1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol
SMILESCC(C)c1nc(Nc2n[nH]c3ccccc23)cc(N2CC(O)C2)n1
InChIInChI=1S/C17H20N6O/c1-10(2)16-18-14(7-15(20-16)23-8-11(24)9-23)19-17-12-5-3-4-6-13(12)21-22-17/h3-7,10-11,24H,8-9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXDWXQGFPAKTXGU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.40
Rot. Bonds4

About 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol

1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol (PubChem CID 166128713) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol
PubChem CID166128713
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol
SMILESCC(C)c1nc(Nc2n[nH]c3ccccc23)cc(N2CC(O)C2)n1
InChIInChI=1S/C17H20N6O/c1-10(2)16-18-14(7-15(20-16)23-8-11(24)9-23)19-17-12-5-3-4-6-13(12)21-22-17/h3-7,10-11,24H,8-9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXDWXQGFPAKTXGU-UHFFFAOYSA-N
XLogP2.40
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
1H-indazol-3-yl-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 25334509
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957543
N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine
CID 166128929
[6-(3,5-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969211
3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine
CID 134192103
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488
benzyl 4-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 66804816
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 62686023
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956945

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol (CID 166128713) is 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol is CC(C)c1nc(Nc2n[nH]c3ccccc23)cc(N2CC(O)C2)n1.
What is the InChIKey of 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol?
The InChIKey is XDWXQGFPAKTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10(2)16-18-14(7-15(20-16)23-8-11(24)9-23)19-17-12-5-3-4-6-13(12)21-22-17/h3-7,10-11,24H,8-9H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol?
1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol has a molecular weight of 324.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 166128713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).