N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine

C21H25N5OS — CID 123178301

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2sc(C)nc2C)cc(OCCC2CC2c2ccccn2)n1
InChIInChI=1S/C21H25N5OS/c1-13-19(28-15(3)24-13)12-23-20-11-21(26-14(2)25-20)27-9-7-16-10-17(16)18-6-4-5-8-22-18/h4-6,8,11,16-17H,7,9-10,12H2,1-3H3,(H,23,25,26)
InChIKeyYRXSZQRHRFBEMH-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.44
Rot. Bonds8

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine (PubChem CID 123178301) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine
PubChem CID123178301
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2sc(C)nc2C)cc(OCCC2CC2c2ccccn2)n1
InChIInChI=1S/C21H25N5OS/c1-13-19(28-15(3)24-13)12-23-20-11-21(26-14(2)25-20)27-9-7-16-10-17(16)18-6-4-5-8-22-18/h4-6,8,11,16-17H,7,9-10,12H2,1-3H3,(H,23,25,26)
InChIKeyYRXSZQRHRFBEMH-UHFFFAOYSA-N
XLogP4.44
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
CID 144538381
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 78060356
6-(2-cyclopropylethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 144538323
2-(2-iminoethyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 123949880
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952794
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 71272463
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 123936385
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272176
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine (CID 123178301) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine is Cc1nc(NCc2sc(C)nc2C)cc(OCCC2CC2c2ccccn2)n1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine?
The InChIKey is YRXSZQRHRFBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-13-19(28-15(3)24-13)12-23-20-11-21(26-14(2)25-20)27-9-7-16-10-17(16)18-6-4-5-8-22-18/h4-6,8,11,16-17H,7,9-10,12H2,1-3H3,(H,23,25,26).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine has a molecular weight of 395.53 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 123178301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).