5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

C15H18N4S — CID 159929279

IUPAC5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C15H18N4S/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyJHKGUVOFMPFZGI-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.68
Rot. Bonds4

About 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 159929279) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
PubChem CID159929279
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C15H18N4S/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyJHKGUVOFMPFZGI-UHFFFAOYSA-N
XLogP3.68
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide
CID 159340440
5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine
CID 130435917
6-ethenyl-4-methylpyridin-3-amine
CID 74888522
bis(5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine);methylboronic acid
CID 158110725
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 167633873
2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine
CID 171723528
6-ethenylpyridine-3,4-diamine
CID 74891844
2-methyl-4,5-di(propan-2-yl)pyrimidine
CID 59058770
2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
CID 158850448
6-ethenyl-2-methyl-3-propan-2-ylpyridine
CID 164556362
5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
CID 158129140
2-methyl-4-propan-2-ylpyrimidin-5-amine
CID 82372486

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (CID 159929279) is 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is C=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The InChIKey is JHKGUVOFMPFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h5-9H,1H2,2-4H3,(H2,16,17,19).
What are the key properties of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 159929279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).