6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine

C17H19N5S — CID 133326062

IUPAC6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(CC)s2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H19N5S/c1-3-13-9-15(19-11-16-20-10-14(4-2)23-16)22-17(21-13)12-5-7-18-8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,21,22)
InChIKeyHTBXCCAKJJAABN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.73
Rot. Bonds6

About 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133326062) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133326062
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(CC)s2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H19N5S/c1-3-13-9-15(19-11-16-20-10-14(4-2)23-16)22-17(21-13)12-5-7-18-8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,21,22)
InChIKeyHTBXCCAKJJAABN-UHFFFAOYSA-N
XLogP3.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133326094
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
CID 133399032
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133385669
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133411435
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 114129232

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133326062) is 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NCc2ncc(CC)s2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is HTBXCCAKJJAABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-3-13-9-15(19-11-16-20-10-14(4-2)23-16)22-17(21-13)12-5-7-18-8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,21,22).
What are the key properties of 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133326062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).