4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

C20H24N6S — CID 10091185

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)s1
InChIInChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)
InChIKeyDGNOUZUYIKVFRZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.71
Rot. Bonds4

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 10091185) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
PubChem CID10091185
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)s1
InChIInChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)
InChIKeyDGNOUZUYIKVFRZ-UHFFFAOYSA-N
XLogP3.71
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (CID 10091185) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is DGNOUZUYIKVFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 380.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 10091185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).