(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol

C18H22N4O2 — CID 56911656

IUPAC(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol
SMILESCc1cc(N[C@H](CO)COCc2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C18H22N4O2/c1-13-8-18(22-17(19-13)9-14(2)21-22)20-16(10-23)12-24-11-15-6-4-3-5-7-15/h3-9,16,20,23H,10-12H2,1-2H3/t16-/m1/s1
InChIKeyWQNCYABMBZTCHN-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds7

About (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol

(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol (PubChem CID 56911656) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol
PubChem CID56911656
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol
SMILESCc1cc(N[C@H](CO)COCc2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C18H22N4O2/c1-13-8-18(22-17(19-13)9-14(2)21-22)20-16(10-23)12-24-11-15-6-4-3-5-7-15/h3-9,16,20,23H,10-12H2,1-2H3/t16-/m1/s1
InChIKeyWQNCYABMBZTCHN-MRXNPFEDSA-N
XLogP2.34
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol?
The IUPAC name of (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol (CID 56911656) is (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol is Cc1cc(N[C@H](CO)COCc2ccccc2)n2nc(C)cc2n1.
What is the InChIKey of (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol?
The InChIKey is WQNCYABMBZTCHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-8-18(22-17(19-13)9-14(2)21-22)20-16(10-23)12-24-11-15-6-4-3-5-7-15/h3-9,16,20,23H,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol?
(2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 56911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).