5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C20H32N6S — CID 45223120

IUPAC5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnc(N(C)C)s1
InChIInChI=1S/C20H32N6S/c1-14(21-11-17-12-23-20(27-17)25(3)4)18-13-22-19(24-15(18)2)26(5)16-9-7-6-8-10-16/h12-14,16,21H,6-11H2,1-5H3
InChIKeyRSRVWAHBQSGNKM-UHFFFAOYSA-N
MW388.59 g/mol
LogP3.93
Rot. Bonds7

About 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 45223120) has the molecular formula C20H32N6S and a molecular weight of 388.59 g/mol. Its IUPAC name is 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID45223120
Molecular FormulaC20H32N6S
Molecular Weight388.59 g/mol
Exact Mass388.24
IUPAC Name5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnc(N(C)C)s1
InChIInChI=1S/C20H32N6S/c1-14(21-11-17-12-23-20(27-17)25(3)4)18-13-22-19(24-15(18)2)26(5)16-9-7-6-8-10-16/h12-14,16,21H,6-11H2,1-5H3
InChIKeyRSRVWAHBQSGNKM-UHFFFAOYSA-N
XLogP3.93
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 45223120) is 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnc(N(C)C)s1.
What is the InChIKey of 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RSRVWAHBQSGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6S/c1-14(21-11-17-12-23-20(27-17)25(3)4)18-13-22-19(24-15(18)2)26(5)16-9-7-6-8-10-16/h12-14,16,21H,6-11H2,1-5H3.
What are the key properties of 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 388.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 45223120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).