2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine

C11H13N5S — CID 1251567

IUPAC2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cnc(SCc2cnc(C)nc2N)nc1
InChIInChI=1S/C11H13N5S/c1-7-3-14-11(15-4-7)17-6-9-5-13-8(2)16-10(9)12/h3-5H,6H2,1-2H3,(H2,12,13,16)
InChIKeyDYCKDESXKLNYEI-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine

2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 1251567) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID1251567
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cnc(SCc2cnc(C)nc2N)nc1
InChIInChI=1S/C11H13N5S/c1-7-3-14-11(15-4-7)17-6-9-5-13-8(2)16-10(9)12/h3-5H,6H2,1-2H3,(H2,12,13,16)
InChIKeyDYCKDESXKLNYEI-UHFFFAOYSA-N
XLogP1.76
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-hexylsulfanyl-pyrimidine-5-carbonitrile
CID 651355
2-Methyl-5-({[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}methyl)-4-pyrimidinamine
CID 2973713
2-(Allylsulfanyl)-4-amino-5-pyrimidinecarbonitrile
CID 1772898
4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
CID 9550174
5-Methyl-2-(methylthio)-4-pyrimidinamine
CID 593218
4-Pyrimidinamine, 2,2'-(1,3-propanediylbis(thio))bis-
CID 3078954
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
2-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-5-methylpyrimidin-4-amine
CID 50968383
4-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-2,5-dimethylpyrimidine
CID 50977742
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
5-Methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72872800
2-prop-2-enylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione
CID 2816604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine (CID 1251567) is 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine is Cc1cnc(SCc2cnc(C)nc2N)nc1.
What is the InChIKey of 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is DYCKDESXKLNYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-7-3-14-11(15-4-7)17-6-9-5-13-8(2)16-10(9)12/h3-5H,6H2,1-2H3,(H2,12,13,16).
What are the key properties of 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 247.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 1251567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).