4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine

C30H30N10O4 — CID 160631661

IUPAC4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine
SMILESCCOc1ccccc1-c1cnc2nc(N)nc(OCC)c2n1.CCOc1nc(N)nc2ncc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C16H17N5O2.C14H13N5O2/c1-3-22-12-8-6-5-7-10(12)11-9-18-14-13(19-11)15(23-4-2)21-16(17)20-14;1-2-21-13-11-12(18-14(15)19-13)16-7-10(17-11)8-3-5-9(20)6-4-8/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21);3-7,20H,2H2,1H3,(H2,15,16,18,19)
InChIKeyRHZOQWAQOBZGGM-UHFFFAOYSA-N
MW594.64 g/mol
LogP4.24
Rot. Bonds8

About 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine

4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine (PubChem CID 160631661) has the molecular formula C30H30N10O4 and a molecular weight of 594.64 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine
PubChem CID160631661
Molecular FormulaC30H30N10O4
Molecular Weight594.64 g/mol
Exact Mass594.25
IUPAC Name4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine
SMILESCCOc1ccccc1-c1cnc2nc(N)nc(OCC)c2n1.CCOc1nc(N)nc2ncc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C16H17N5O2.C14H13N5O2/c1-3-22-12-8-6-5-7-10(12)11-9-18-14-13(19-11)15(23-4-2)21-16(17)20-14;1-2-21-13-11-12(18-14(15)19-13)16-7-10(17-11)8-3-5-9(20)6-4-8/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21);3-7,20H,2H2,1H3,(H2,15,16,18,19)
InChIKeyRHZOQWAQOBZGGM-UHFFFAOYSA-N
XLogP4.24
TPSA203.08 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.64
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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Related Compounds

4-ethoxy-6-quinolin-3-ylpteridin-2-amine
CID 68775878
6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine
CID 68774162
4-ethoxy-6-pyridin-3-ylpteridin-2-amine
CID 68775933
4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
CID 68779202
4-ethoxy-6-thiophen-3-ylpteridin-2-amine
CID 11300268
4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
CID 68775587
6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
CID 68774069
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
N-[5-(2-amino-4-ethoxypteridin-6-yl)-2-pyridinyl]acetamide
CID 68776058
6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine
CID 173146266
4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
CID 68777622
methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate
CID 68775176

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine (CID 160631661) is 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine is CCOc1ccccc1-c1cnc2nc(N)nc(OCC)c2n1.CCOc1nc(N)nc2ncc(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine?
The InChIKey is RHZOQWAQOBZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.C14H13N5O2/c1-3-22-12-8-6-5-7-10(12)11-9-18-14-13(19-11)15(23-4-2)21-16(17)20-14;1-2-21-13-11-12(18-14(15)19-13)16-7-10(17-11)8-3-5-9(20)6-4-8/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21);3-7,20H,2H2,1H3,(H2,15,16,18,19).
What are the key properties of 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine?
4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine has a molecular weight of 594.64 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 160631661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).