(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol

C15H22N6O — CID 95135126

IUPAC(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C)c1ncnc2c1CN(C[C@H](O)Cn1cccn1)CC2
InChIInChI=1S/C15H22N6O/c1-19(2)15-13-10-20(7-4-14(13)16-11-17-15)8-12(22)9-21-6-3-5-18-21/h3,5-6,11-12,22H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyRKZDKUIWAPXBIW-LBPRGKRZSA-N
MW302.38 g/mol
LogP0.16
Rot. Bonds5

About (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95135126) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95135126
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C)c1ncnc2c1CN(C[C@H](O)Cn1cccn1)CC2
InChIInChI=1S/C15H22N6O/c1-19(2)15-13-10-20(7-4-14(13)16-11-17-15)8-12(22)9-21-6-3-5-18-21/h3,5-6,11-12,22H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyRKZDKUIWAPXBIW-LBPRGKRZSA-N
XLogP0.16
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95135126) is (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol is CN(C)c1ncnc2c1CN(C[C@H](O)Cn1cccn1)CC2.
What is the InChIKey of (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is RKZDKUIWAPXBIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19(2)15-13-10-20(7-4-14(13)16-11-17-15)8-12(22)9-21-6-3-5-18-21/h3,5-6,11-12,22H,4,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95135126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).