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

C21H25N5OS — CID 71274226

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
InChIKeySJCKAGOBSNUNNF-SJORKVTESA-N
MW395.53 g/mol
LogP4.36
Rot. Bonds7

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71274226) 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]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71274226
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
InChIKeySJCKAGOBSNUNNF-SJORKVTESA-N
XLogP4.36
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (CID 71274226) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is SJCKAGOBSNUNNF-SJORKVTESA-N. The full InChI is InChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 395.53 g/mol, XLogP of 4.36, 7 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]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71274226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).