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

C19H22N6OS — CID 10430000

IUPACN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
InChIInChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyKLIUCXHHFFVGMK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.53
Rot. Bonds5

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

N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 10430000) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID10430000
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
InChIInChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyKLIUCXHHFFVGMK-UHFFFAOYSA-N
XLogP3.53
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 10430000) is N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1.
What is the InChIKey of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is KLIUCXHHFFVGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 382.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10430000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).