2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C20H19N5O2S — CID 10178682

IUPAC2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ncc(C)c(NCc3cccs3)n2)cc1-c1cnco1
InChIInChI=1S/C20H19N5O2S/c1-13-9-23-20(25-19(13)22-10-15-4-3-7-28-15)24-14-5-6-17(26-2)16(8-14)18-11-21-12-27-18/h3-9,11-12H,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyQTSCPJWBKXHANC-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.87
Rot. Bonds7

About 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 10178682) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID10178682
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ncc(C)c(NCc3cccs3)n2)cc1-c1cnco1
InChIInChI=1S/C20H19N5O2S/c1-13-9-23-20(25-19(13)22-10-15-4-3-7-28-15)24-14-5-6-17(26-2)16(8-14)18-11-21-12-27-18/h3-9,11-12H,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyQTSCPJWBKXHANC-UHFFFAOYSA-N
XLogP4.87
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
4-methoxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459608
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 22459642
4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459751
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80830476
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 10178682) is 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ncc(C)c(NCc3cccs3)n2)cc1-c1cnco1.
What is the InChIKey of 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QTSCPJWBKXHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13-9-23-20(25-19(13)22-10-15-4-3-7-28-15)24-14-5-6-17(26-2)16(8-14)18-11-21-12-27-18/h3-9,11-12H,10H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 393.47 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10178682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).