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

C15H20N4S2 — CID 54363248

IUPAC2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCc2cc(CC(C)C)ccn2)n1
InChIInChI=1S/C15H20N4S2/c1-10(2)6-11-4-5-17-12(7-11)9-21-15-18-13(16)8-14(19-15)20-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,16,18,19)
InChIKeyUNYWDGXCGOVVHH-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.67
Rot. Bonds6

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

2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 54363248) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID54363248
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Name2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCc2cc(CC(C)C)ccn2)n1
InChIInChI=1S/C15H20N4S2/c1-10(2)6-11-4-5-17-12(7-11)9-21-15-18-13(16)8-14(19-15)20-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,16,18,19)
InChIKeyUNYWDGXCGOVVHH-UHFFFAOYSA-N
XLogP3.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 70286023
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294002
2-[(2,6-difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839
2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294000
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293893
6-methylsulfanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
CID 23293852
4-[3-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]benzenethiol
CID 135984128
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 54160486
2-(cyclohexen-1-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 23293993
2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 70285571
2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine
CID 61295851

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (CID 54363248) is 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(SCc2cc(CC(C)C)ccn2)n1.
What is the InChIKey of 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is UNYWDGXCGOVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-10(2)6-11-4-5-17-12(7-11)9-21-15-18-13(16)8-14(19-15)20-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,16,18,19).
What are the key properties of 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 320.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 54363248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).