2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one

C16H15N5O3 — CID 101405400

IUPAC2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one
SMILESNc1nc(OCc2ccccc2)c2nc(/C=C\CO)c(=O)[nH]c2n1
InChIInChI=1S/C16H15N5O3/c17-16-20-13-12(18-11(7-4-8-22)14(23)19-13)15(21-16)24-9-10-5-2-1-3-6-10/h1-7,22H,8-9H2,(H3,17,19,20,21,23)/b7-4-
InChIKeySSHATXUVVPXQJY-DAXSKMNVSA-N
MW325.33 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one

2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one (PubChem CID 101405400) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one.

Molecular Properties

Compound Name2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one
PubChem CID101405400
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one
SMILESNc1nc(OCc2ccccc2)c2nc(/C=C\CO)c(=O)[nH]c2n1
InChIInChI=1S/C16H15N5O3/c17-16-20-13-12(18-11(7-4-8-22)14(23)19-13)15(21-16)24-9-10-5-2-1-3-6-10/h1-7,22H,8-9H2,(H3,17,19,20,21,23)/b7-4-
InChIKeySSHATXUVVPXQJY-DAXSKMNVSA-N
XLogP0.88
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
CID 146503029
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
CID 155902309
2-(benzenesulfonyl)-5-bromo-4-phenylmethoxy-1H-pyrimidin-6-one
CID 21089329
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
CID 141435481
2-[4-(aminomethyl)phenyl]-5-bromo-4-phenylmethoxy-1H-pyrimidin-6-one
CID 142947521
(3S)-4-(2-amino-6-phenylmethoxypurin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 101219528

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one?
The IUPAC name of 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one (CID 101405400) is 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one.
What is the SMILES notation for 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one?
The canonical SMILES for 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one is Nc1nc(OCc2ccccc2)c2nc(/C=C\CO)c(=O)[nH]c2n1.
What is the InChIKey of 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one?
The InChIKey is SSHATXUVVPXQJY-DAXSKMNVSA-N. The full InChI is InChI=1S/C16H15N5O3/c17-16-20-13-12(18-11(7-4-8-22)14(23)19-13)15(21-16)24-9-10-5-2-1-3-6-10/h1-7,22H,8-9H2,(H3,17,19,20,21,23)/b7-4-.
What are the key properties of 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one?
2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one has a molecular weight of 325.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one is sourced from PubChem (CID 101405400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).