2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine

C16H29N5O2S — CID 42190453

IUPAC2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H29N5O2S/c1-12-15(13(2)19-24(22,23)20(3)4)11-17-16(18-12)21(5)14-9-7-6-8-10-14/h11,13-14,19H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyHVUGMSHLGAFGSX-ZDUSSCGKSA-N
MW355.51 g/mol
LogP2.01
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine

2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine (PubChem CID 42190453) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine
PubChem CID42190453
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC Name2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H29N5O2S/c1-12-15(13(2)19-24(22,23)20(3)4)11-17-16(18-12)21(5)14-9-7-6-8-10-14/h11,13-14,19H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyHVUGMSHLGAFGSX-ZDUSSCGKSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine (CID 42190453) is 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine is Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine?
The InChIKey is HVUGMSHLGAFGSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-12-15(13(2)19-24(22,23)20(3)4)11-17-16(18-12)21(5)14-9-7-6-8-10-14/h11,13-14,19H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine?
2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine has a molecular weight of 355.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5-[(1S)-1-(dimethylsulfamoylamino)ethyl]-4-methylpyrimidine is sourced from PubChem (CID 42190453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).