2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide

C14H17N5S — CID 107547773

IUPAC2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
SMILESCCN(Cc1cccc(C)n1)c1nccc(C(N)=S)n1
InChIInChI=1S/C14H17N5S/c1-3-19(9-11-6-4-5-10(2)17-11)14-16-8-7-12(18-14)13(15)20/h4-8H,3,9H2,1-2H3,(H2,15,20)
InChIKeyXKUGZECORBEZDS-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.84
Rot. Bonds5

About 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide (PubChem CID 107547773) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
PubChem CID107547773
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
SMILESCCN(Cc1cccc(C)n1)c1nccc(C(N)=S)n1
InChIInChI=1S/C14H17N5S/c1-3-19(9-11-6-4-5-10(2)17-11)14-16-8-7-12(18-14)13(15)20/h4-8H,3,9H2,1-2H3,(H2,15,20)
InChIKeyXKUGZECORBEZDS-UHFFFAOYSA-N
XLogP1.84
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
2-[ethyl(2-ethylbutyl)amino]pyrimidine-4-carbothioamide
CID 107546820
2-[bis(2-hydroxyethyl)amino]pyrimidine-4-carbothioamide
CID 107546750
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanethioamide
CID 79267093
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
CID 80517126
2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939
6-ethylpyridine-2-carbothioamide
CID 119094579
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide (CID 107547773) is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide is CCN(Cc1cccc(C)n1)c1nccc(C(N)=S)n1.
What is the InChIKey of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide?
The InChIKey is XKUGZECORBEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-19(9-11-6-4-5-10(2)17-11)14-16-8-7-12(18-14)13(15)20/h4-8H,3,9H2,1-2H3,(H2,15,20).
What are the key properties of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide?
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).