2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

C14H16N4S2 — CID 23293893

IUPAC2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCc2ncccc2C2CC2)n1
InChIInChI=1S/C14H16N4S2/c1-19-13-7-12(15)17-14(18-13)20-8-11-10(9-4-5-9)3-2-6-16-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,15,17,18)
InChIKeyGKEIQROVEQBOOK-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.35
Rot. Bonds5

About 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 23293893) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID23293893
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCc2ncccc2C2CC2)n1
InChIInChI=1S/C14H16N4S2/c1-19-13-7-12(15)17-14(18-13)20-8-11-10(9-4-5-9)3-2-6-16-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,15,17,18)
InChIKeyGKEIQROVEQBOOK-UHFFFAOYSA-N
XLogP3.35
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294000
4-[3-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]benzenethiol
CID 135984128
2-[(2,6-difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839
6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 152655143
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294002
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198323
2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 54363248
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 54160486
6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610677
2-(cyclohexen-1-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 23293993
6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610676
6-methylsulfanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
CID 23293852

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (CID 23293893) is 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(SCc2ncccc2C2CC2)n1.
What is the InChIKey of 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is GKEIQROVEQBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-19-13-7-12(15)17-14(18-13)20-8-11-10(9-4-5-9)3-2-6-16-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,15,17,18).
What are the key properties of 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 23293893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).