5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine

C18H17N3O2 — CID 175815577

IUPAC5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(COc2ccc(-c3cncnc3N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-6-2-13(3-7-15)11-23-16-8-4-14(5-9-16)17-10-20-12-21-18(17)19/h2-10,12H,11H2,1H3,(H2,19,20,21)
InChIKeyVZXMKVVQYQWQDU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.31
Rot. Bonds5

About 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine

5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine (PubChem CID 175815577) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
PubChem CID175815577
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(COc2ccc(-c3cncnc3N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-6-2-13(3-7-15)11-23-16-8-4-14(5-9-16)17-10-20-12-21-18(17)19/h2-10,12H,11H2,1H3,(H2,19,20,21)
InChIKeyVZXMKVVQYQWQDU-UHFFFAOYSA-N
XLogP3.31
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylphenyl)pyrimidin-4-amine
CID 82282209
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
4-bromo-5-(4-methoxyphenyl)pyrimidine
CID 105370920
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
6-[(4-methoxyphenyl)methoxy]pyridine-2,3-diamine
CID 59437374
3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
CID 68874259
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine?
The IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine (CID 175815577) is 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine is COc1ccc(COc2ccc(-c3cncnc3N)cc2)cc1.
What is the InChIKey of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine?
The InChIKey is VZXMKVVQYQWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-6-2-13(3-7-15)11-23-16-8-4-14(5-9-16)17-10-20-12-21-18(17)19/h2-10,12H,11H2,1H3,(H2,19,20,21).
What are the key properties of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine?
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 175815577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).