6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

C15H15N5OS — CID 50970145

IUPAC6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2csc(-c3ccncc3)n2)ncn1
InChIInChI=1S/C15H15N5OS/c1-21-14-8-13(18-10-19-14)17-7-4-12-9-22-15(20-12)11-2-5-16-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,17,18,19)
InChIKeyNADIRAVSZWXDAE-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.66
Rot. Bonds6

About 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 50970145) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID50970145
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2csc(-c3ccncc3)n2)ncn1
InChIInChI=1S/C15H15N5OS/c1-21-14-8-13(18-10-19-14)17-7-4-12-9-22-15(20-12)11-2-5-16-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,17,18,19)
InChIKeyNADIRAVSZWXDAE-UHFFFAOYSA-N
XLogP2.66
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 122282628
[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133348730
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 50974600
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 50970145) is 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is COc1cc(NCCc2csc(-c3ccncc3)n2)ncn1.
What is the InChIKey of 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NADIRAVSZWXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-21-14-8-13(18-10-19-14)17-7-4-12-9-22-15(20-12)11-2-5-16-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,17,18,19).
What are the key properties of 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 313.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50970145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).