4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C18H26N6S — CID 126888677

IUPAC4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nc4c(s3)CCCC4)CC2)ncn1
InChIInChI=1S/C18H26N6S/c1-23(2)17-11-16(19-12-20-17)21-13-7-9-24(10-8-13)18-22-14-5-3-4-6-15(14)25-18/h11-13H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyZGXCBPDOTYXJQV-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.96
Rot. Bonds4

About 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888677) has the molecular formula C18H26N6S and a molecular weight of 358.52 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888677
Molecular FormulaC18H26N6S
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Name4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nc4c(s3)CCCC4)CC2)ncn1
InChIInChI=1S/C18H26N6S/c1-23(2)17-11-16(19-12-20-17)21-13-7-9-24(10-8-13)18-22-14-5-3-4-6-15(14)25-18/h11-13H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyZGXCBPDOTYXJQV-UHFFFAOYSA-N
XLogP2.96
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888677) is 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(c3nc4c(s3)CCCC4)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is ZGXCBPDOTYXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S/c1-23(2)17-11-16(19-12-20-17)21-13-7-9-24(10-8-13)18-22-14-5-3-4-6-15(14)25-18/h11-13H,3-10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 358.52 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).