(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol

C20H27N5O — CID 25124680

IUPAC(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H27N5O/c1-4-16(13-26)23-18-10-19(21-11-15-8-6-5-7-9-15)25-20(24-18)17(12-22-25)14(2)3/h5-10,12,14,16,21,26H,4,11,13H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyDPQCCKVYNVNRCN-MRXNPFEDSA-N
MW353.47 g/mol
LogP3.65
Rot. Bonds8

About (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol

(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol (PubChem CID 25124680) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
PubChem CID25124680
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H27N5O/c1-4-16(13-26)23-18-10-19(21-11-15-8-6-5-7-9-15)25-20(24-18)17(12-22-25)14(2)3/h5-10,12,14,16,21,26H,4,11,13H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyDPQCCKVYNVNRCN-MRXNPFEDSA-N
XLogP3.65
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol (CID 25124680) is (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol is CC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The InChIKey is DPQCCKVYNVNRCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-16(13-26)23-18-10-19(21-11-15-8-6-5-7-9-15)25-20(24-18)17(12-22-25)14(2)3/h5-10,12,14,16,21,26H,4,11,13H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol has a molecular weight of 353.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol is sourced from PubChem (CID 25124680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).