N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine

C20H16N4OS — CID 9925060

IUPACN-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESC1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4
InChIInChI=1S/C20H16N4OS/c1-2-5-15(6-3-1)14-25-17-8-4-7-16(13-17)23-20-22-10-9-18(24-20)19-21-11-12-26-19/h1-13H,14H2,(H,22,23,24)
InChIKeySMHUCMRAVFJCSW-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.30
Rot. Bonds6

About N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine

N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine (PubChem CID 9925060) has the molecular formula C20H16N4OS and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
PubChem CID9925060
Molecular FormulaC20H16N4OS
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESC1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4
InChIInChI=1S/C20H16N4OS/c1-2-5-15(6-3-1)14-25-17-8-4-7-16(13-17)23-20-22-10-9-18(24-20)19-21-11-12-26-19/h1-13H,14H2,(H,22,23,24)
InChIKeySMHUCMRAVFJCSW-UHFFFAOYSA-N
XLogP4.30
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity421

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine (CID 9925060) is N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine is C1=CC=C(C=C1)COC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4.
What is the InChIKey of N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is SMHUCMRAVFJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-2-5-15(6-3-1)14-25-17-8-4-7-16(13-17)23-20-22-10-9-18(24-20)19-21-11-12-26-19/h1-13H,14H2,(H,22,23,24).
What are the key properties of N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine?
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 360.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 9925060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).