4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C22H27N7S — CID 150135751

IUPAC4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1C=CSC1C(C)(C)C
InChIInChI=1S/C22H27N7S/c1-15-16(13-29-10-11-30-20(29)22(2,3)4)6-7-18(25-15)19-8-9-23-21(27-19)26-17-12-24-28(5)14-17/h6-12,14,20H,13H2,1-5H3,(H,23,26,27)
InChIKeyFCEZBGAAFYEBHB-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.72
Rot. Bonds5

About 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 150135751) has the molecular formula C22H27N7S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID150135751
Molecular FormulaC22H27N7S
Molecular Weight421.57 g/mol
Exact Mass421.20
IUPAC Name4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1C=CSC1C(C)(C)C
InChIInChI=1S/C22H27N7S/c1-15-16(13-29-10-11-30-20(29)22(2,3)4)6-7-18(25-15)19-8-9-23-21(27-19)26-17-12-24-28(5)14-17/h6-12,14,20H,13H2,1-5H3,(H,23,26,27)
InChIKeyFCEZBGAAFYEBHB-UHFFFAOYSA-N
XLogP4.72
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 158549212
1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]propan-1-one
CID 147321086
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 170326720
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813
6-[4-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-3-methylphenyl]-N-(2-methyltriazol-4-yl)pyrimidin-4-amine
CID 172850493
1-tert-butyl-5-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
CID 118139403
[2-tert-butyl-4-[[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methylamino]methyl]-1,3-thiazol-5-yl]methanediol
CID 135294488
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
CID 118139758
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 150135751) is 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1C=CSC1C(C)(C)C.
What is the InChIKey of 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is FCEZBGAAFYEBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7S/c1-15-16(13-29-10-11-30-20(29)22(2,3)4)6-7-18(25-15)19-8-9-23-21(27-19)26-17-12-24-28(5)14-17/h6-12,14,20H,13H2,1-5H3,(H,23,26,27).
What are the key properties of 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 421.57 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 150135751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).