cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol

C16H18N6O — CID 154649378

IUPACcis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
SMILESNc1nc(N[C@H]2CCC[C@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6O/c17-16-20-13-8-9(11-6-7-18-22-11)4-5-10(13)15(21-16)19-12-2-1-3-14(12)23/h4-8,12,14,23H,1-3H2,(H,18,22)(H3,17,19,20,21)/t12-,14+/m0/s1
InChIKeyVVVAZTNDJMQDEL-GXTWGEPZSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds3

About cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol

cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol (PubChem CID 154649378) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
PubChem CID154649378
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Namecis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
SMILESNc1nc(N[C@H]2CCC[C@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6O/c17-16-20-13-8-9(11-6-7-18-22-11)4-5-10(13)15(21-16)19-12-2-1-3-14(12)23/h4-8,12,14,23H,1-3H2,(H,18,22)(H3,17,19,20,21)/t12-,14+/m0/s1
InChIKeyVVVAZTNDJMQDEL-GXTWGEPZSA-N
XLogP1.93
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol (CID 154649378) is cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol is Nc1nc(N[C@H]2CCC[C@H]2O)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is VVVAZTNDJMQDEL-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H18N6O/c17-16-20-13-8-9(11-6-7-18-22-11)4-5-10(13)15(21-16)19-12-2-1-3-14(12)23/h4-8,12,14,23H,1-3H2,(H,18,22)(H3,17,19,20,21)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 310.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 154649378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).