6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine

C14H14N4O2S — CID 155903113

IUPAC6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
InChIKeyRTONKOFFKFVXAW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.07
Rot. Bonds3

About 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine

6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 155903113) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID155903113
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
InChIKeyRTONKOFFKFVXAW-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Nvs-cecr2-1
CID 117072550
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)methanesulfonamide
CID 44444222
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 57095243
N-benzyl-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 909943
5-[4-(Methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]-1h-indole
CID 23585071
(3S)-4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 25175568
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CID 155903114
DC-BPi-11
CID 163410002
4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol
CID 167714236

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine (CID 155903113) is 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine is CNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is RTONKOFFKFVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18).
What are the key properties of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 155903113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).