6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C14H19N5S — CID 114702224

IUPAC6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2C)nc(SC)n1
InChIInChI=1S/C14H19N5S/c1-4-16-12-7-13(19-14(18-12)20-3)17-9-11-5-6-15-8-10(11)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLNHKOPFPYUCZKM-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.95
Rot. Bonds6

About 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 114702224) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID114702224
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2C)nc(SC)n1
InChIInChI=1S/C14H19N5S/c1-4-16-12-7-13(19-14(18-12)20-3)17-9-11-5-6-15-8-10(11)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLNHKOPFPYUCZKM-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760160
6-N-ethyl-2-methylsulfanyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80818024
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702220
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81174173

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 114702224) is 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NCc2ccncc2C)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is LNHKOPFPYUCZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-4-16-12-7-13(19-14(18-12)20-3)17-9-11-5-6-15-8-10(11)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 114702224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).