5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C17H17N5O3S — CID 170346673

IUPAC5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCOc1ccc(C)c(-c2nc(-c3nccs3)nc(C(N)=O)c2N)c1
InChIInChI=1S/C17H17N5O3S/c1-9-3-4-10(25-8-24-2)7-11(9)13-12(18)14(15(19)23)22-16(21-13)17-20-5-6-26-17/h3-7H,8,18H2,1-2H3,(H2,19,23)
InChIKeyPHNXOYDPMAHGEA-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.24
Rot. Bonds6

About 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 170346673) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID170346673
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCOc1ccc(C)c(-c2nc(-c3nccs3)nc(C(N)=O)c2N)c1
InChIInChI=1S/C17H17N5O3S/c1-9-3-4-10(25-8-24-2)7-11(9)13-12(18)14(15(19)23)22-16(21-13)17-20-5-6-26-17/h3-7H,8,18H2,1-2H3,(H2,19,23)
InChIKeyPHNXOYDPMAHGEA-UHFFFAOYSA-N
XLogP2.24
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 170346673) is 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is COCOc1ccc(C)c(-c2nc(-c3nccs3)nc(C(N)=O)c2N)c1.
What is the InChIKey of 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is PHNXOYDPMAHGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-9-3-4-10(25-8-24-2)7-11(9)13-12(18)14(15(19)23)22-16(21-13)17-20-5-6-26-17/h3-7H,8,18H2,1-2H3,(H2,19,23).
What are the key properties of 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[5-(methoxymethoxy)-2-methylphenyl]-2-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170346673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).