1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol

C10H13Cl2N3O — CID 175399807

IUPAC1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol
SMILESCC(O)CN1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C10H13Cl2N3O/c1-6(16)5-15-4-2-3-7-8(11)13-10(12)14-9(7)15/h6,16H,2-5H2,1H3
InChIKeyXJEZMPNEXRYTFA-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.92
Rot. Bonds2

About 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol

1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol (PubChem CID 175399807) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol
PubChem CID175399807
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol
SMILESCC(O)CN1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C10H13Cl2N3O/c1-6(16)5-15-4-2-3-7-8(11)13-10(12)14-9(7)15/h6,16H,2-5H2,1H3
InChIKeyXJEZMPNEXRYTFA-UHFFFAOYSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol (CID 175399807) is 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol is CC(O)CN1CCCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol?
The InChIKey is XJEZMPNEXRYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6(16)5-15-4-2-3-7-8(11)13-10(12)14-9(7)15/h6,16H,2-5H2,1H3.
What are the key properties of 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol?
1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol has a molecular weight of 262.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol is sourced from PubChem (CID 175399807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).