3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol

C13H14N4O — CID 117101697

IUPAC3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnc3c2CCNC3)c1
InChIInChI=1S/C13H14N4O/c18-10-3-1-2-9(6-10)17-13-11-4-5-14-7-12(11)15-8-16-13/h1-3,6,8,14,18H,4-5,7H2,(H,15,16,17)
InChIKeyDLPVVBNQINAWIT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.57
Rot. Bonds2

About 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol

3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol (PubChem CID 117101697) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
PubChem CID117101697
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnc3c2CCNC3)c1
InChIInChI=1S/C13H14N4O/c18-10-3-1-2-9(6-10)17-13-11-4-5-14-7-12(11)15-8-16-13/h1-3,6,8,14,18H,4-5,7H2,(H,15,16,17)
InChIKeyDLPVVBNQINAWIT-UHFFFAOYSA-N
XLogP1.57
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102186
N-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102184
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 59021462
4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101906
N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101711
3-[(4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-yl)amino]phenol
CID 117101285
N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
CID 115144765
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 59346476
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
3-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 2792376
N-(3-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101814

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol?
The IUPAC name of 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol (CID 117101697) is 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol.
What is the SMILES notation for 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol?
The canonical SMILES for 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol is Oc1cccc(Nc2ncnc3c2CCNC3)c1.
What is the InChIKey of 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol?
The InChIKey is DLPVVBNQINAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-10-3-1-2-9(6-10)17-13-11-4-5-14-7-12(11)15-8-16-13/h1-3,6,8,14,18H,4-5,7H2,(H,15,16,17).
What are the key properties of 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol?
3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol has a molecular weight of 242.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol is sourced from PubChem (CID 117101697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).