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

C16H17N5S — CID 50974641

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1nc(CNc2cc(C)nc(-c3cccnc3)n2)cs1
InChIInChI=1S/C16H17N5S/c1-3-15-20-13(10-22-15)9-18-14-7-11(2)19-16(21-14)12-5-4-6-17-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyVRNHRLMBKMDXAE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.48
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50974641) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50974641
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1nc(CNc2cc(C)nc(-c3cccnc3)n2)cs1
InChIInChI=1S/C16H17N5S/c1-3-15-20-13(10-22-15)9-18-14-7-11(2)19-16(21-14)12-5-4-6-17-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyVRNHRLMBKMDXAE-UHFFFAOYSA-N
XLogP3.48
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 50974641) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is CCc1nc(CNc2cc(C)nc(-c3cccnc3)n2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is VRNHRLMBKMDXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-3-15-20-13(10-22-15)9-18-14-7-11(2)19-16(21-14)12-5-4-6-17-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50974641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).