3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol

C17H18N4O — CID 141043898

IUPAC3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
SMILESOc1cccc(Nc2ncc3c(n2)N(CC2CC2)CC=C3)c1
InChIInChI=1S/C17H18N4O/c22-15-5-1-4-14(9-15)19-17-18-10-13-3-2-8-21(16(13)20-17)11-12-6-7-12/h1-5,9-10,12,22H,6-8,11H2,(H,18,19,20)
InChIKeyXZTBTWMLSCIXMH-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.17
Rot. Bonds4

About 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol

3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol (PubChem CID 141043898) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
PubChem CID141043898
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
SMILESOc1cccc(Nc2ncc3c(n2)N(CC2CC2)CC=C3)c1
InChIInChI=1S/C17H18N4O/c22-15-5-1-4-14(9-15)19-17-18-10-13-3-2-8-21(16(13)20-17)11-12-6-7-12/h1-5,9-10,12,22H,6-8,11H2,(H,18,19,20)
InChIKeyXZTBTWMLSCIXMH-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70111674
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
N-(3-nitrophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141044002
9-(3-aminophenyl)-7-(cyclopropylmethyl)-N-phenyl-8H-purin-2-amine
CID 174836184
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol
CID 141043970
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
1-[3-[2-[2-(3-heptylanilino)-7-methylidenepyrido[2,3-d]pyrimidin-8-yl]ethyl]azetidin-1-yl]prop-2-en-1-one
CID 156747977

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol (CID 141043898) is 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol is Oc1cccc(Nc2ncc3c(n2)N(CC2CC2)CC=C3)c1.
What is the InChIKey of 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol?
The InChIKey is XZTBTWMLSCIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-15-5-1-4-14(9-15)19-17-18-10-13-3-2-8-21(16(13)20-17)11-12-6-7-12/h1-5,9-10,12,22H,6-8,11H2,(H,18,19,20).
What are the key properties of 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol?
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol has a molecular weight of 294.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 141043898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).