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

C15H21N5OS — CID 110113761

IUPACN,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C15H21N5OS/c1-10-6-14(16-3)19-15(17-10)13-8-21-5-4-20(13)7-12-9-22-11(2)18-12/h6,9,13H,4-5,7-8H2,1-3H3,(H,16,17,19)
InChIKeyBGPGKYAHAHNJCG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.17
Rot. Bonds4

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

N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 110113761) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID110113761
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C15H21N5OS/c1-10-6-14(16-3)19-15(17-10)13-8-21-5-4-20(13)7-12-9-22-11(2)18-12/h6,9,13H,4-5,7-8H2,1-3H3,(H,16,17,19)
InChIKeyBGPGKYAHAHNJCG-UHFFFAOYSA-N
XLogP2.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 110113761) is N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc(C2COCCN2Cc2csc(C)n2)n1.
What is the InChIKey of N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is BGPGKYAHAHNJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-6-14(16-3)19-15(17-10)13-8-21-5-4-20(13)7-12-9-22-11(2)18-12/h6,9,13H,4-5,7-8H2,1-3H3,(H,16,17,19).
What are the key properties of N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).