N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C16H23N5OS — CID 110113843

IUPACN,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C16H23N5OS/c1-11-7-15(20(3)4)19-16(17-11)14-9-22-6-5-21(14)8-13-10-23-12(2)18-13/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyJMOQCWDQWVVQKQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.19
Rot. Bonds4

About N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 110113843) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID110113843
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C16H23N5OS/c1-11-7-15(20(3)4)19-16(17-11)14-9-22-6-5-21(14)8-13-10-23-12(2)18-13/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyJMOQCWDQWVVQKQ-UHFFFAOYSA-N
XLogP2.19
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 110113843) is N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc(C2COCCN2Cc2csc(C)n2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is JMOQCWDQWVVQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-7-15(20(3)4)19-16(17-11)14-9-22-6-5-21(14)8-13-10-23-12(2)18-13/h7,10,14H,5-6,8-9H2,1-4H3.
What are the key properties of N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 333.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).