2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol

C19H21ClN4O — CID 137262000

IUPAC2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCCCN(CCC)c1nc(-c2ccccc2O)nc2cc(Cl)cnc12
InChIInChI=1S/C19H21ClN4O/c1-3-9-24(10-4-2)19-17-15(11-13(20)12-21-17)22-18(23-19)14-7-5-6-8-16(14)25/h5-8,11-12,25H,3-4,9-10H2,1-2H3
InChIKeyJRAFCPWLVIQWDO-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.68
Rot. Bonds6

About 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol

2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 137262000) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID137262000
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCCCN(CCC)c1nc(-c2ccccc2O)nc2cc(Cl)cnc12
InChIInChI=1S/C19H21ClN4O/c1-3-9-24(10-4-2)19-17-15(11-13(20)12-21-17)22-18(23-19)14-7-5-6-8-16(14)25/h5-8,11-12,25H,3-4,9-10H2,1-2H3
InChIKeyJRAFCPWLVIQWDO-UHFFFAOYSA-N
XLogP4.68
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 137262000) is 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol is CCCN(CCC)c1nc(-c2ccccc2O)nc2cc(Cl)cnc12.
What is the InChIKey of 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is JRAFCPWLVIQWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-3-9-24(10-4-2)19-17-15(11-13(20)12-21-17)22-18(23-19)14-7-5-6-8-16(14)25/h5-8,11-12,25H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol?
2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 356.86 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-4-(dipropylamino)pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 137262000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).