5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide

C16H21N5O3S — CID 122526630

IUPAC5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide
SMILESCNC(=O)c1coc(Sc2cnc(N3CCN(C)CC3)nc2OC)c1
InChIInChI=1S/C16H21N5O3S/c1-17-14(22)11-8-13(24-10-11)25-12-9-18-16(19-15(12)23-3)21-6-4-20(2)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,22)
InChIKeyMLFBKXVNOXOYLA-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.34
Rot. Bonds5

About 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide

5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide (PubChem CID 122526630) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide
PubChem CID122526630
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide
SMILESCNC(=O)c1coc(Sc2cnc(N3CCN(C)CC3)nc2OC)c1
InChIInChI=1S/C16H21N5O3S/c1-17-14(22)11-8-13(24-10-11)25-12-9-18-16(19-15(12)23-3)21-6-4-20(2)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,22)
InChIKeyMLFBKXVNOXOYLA-UHFFFAOYSA-N
XLogP1.34
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidine-4,6-diamine
CID 130320466
4-[4-[(3-iodophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide
CID 118515070
N-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide
CID 122526772
3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide
CID 118515033
4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoyl chloride
CID 118515256
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
4-[4-[(3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzonitrile
CID 118515051
N-methyl-4-(4-methylpiperazin-1-yl)-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523487
2-amino-N-[3-[4-cyclohexyloxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide
CID 66973909
4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanyl-N-(piperidin-1-ylmethyl)benzamide;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanyl-N-(pyrrolidin-1-ylmethyl)benzamide
CID 161448275
2-[4-(3-chlorophenyl)piperazin-1-yl]-4-methoxy-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42847751

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide?
The IUPAC name of 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide (CID 122526630) is 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide.
What is the SMILES notation for 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide?
The canonical SMILES for 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide is CNC(=O)c1coc(Sc2cnc(N3CCN(C)CC3)nc2OC)c1.
What is the InChIKey of 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide?
The InChIKey is MLFBKXVNOXOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-17-14(22)11-8-13(24-10-11)25-12-9-18-16(19-15(12)23-3)21-6-4-20(2)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,22).
What are the key properties of 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide?
5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-N-methylfuran-3-carboxamide is sourced from PubChem (CID 122526630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).