4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

C20H24N6OS — CID 127249221

IUPAC4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CN(Cc4cnc(C)s4)CCO3)nc2)n1
InChIInChI=1S/C20H24N6OS/c1-13-8-14(2)24-20(23-13)25-16-4-5-18(22-9-16)19-12-26(6-7-27-19)11-17-10-21-15(3)28-17/h4-5,8-10,19H,6-7,11-12H2,1-3H3,(H,23,24,25)
InChIKeyAOWYLCXLNCPNIE-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.57
Rot. Bonds5

About 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 127249221) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID127249221
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CN(Cc4cnc(C)s4)CCO3)nc2)n1
InChIInChI=1S/C20H24N6OS/c1-13-8-14(2)24-20(23-13)25-16-4-5-18(22-9-16)19-12-26(6-7-27-19)11-17-10-21-15(3)28-17/h4-5,8-10,19H,6-7,11-12H2,1-3H3,(H,23,24,25)
InChIKeyAOWYLCXLNCPNIE-UHFFFAOYSA-N
XLogP3.57
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (CID 127249221) is 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(C3CN(Cc4cnc(C)s4)CCO3)nc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is AOWYLCXLNCPNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-8-14(2)24-20(23-13)25-16-4-5-18(22-9-16)19-12-26(6-7-27-19)11-17-10-21-15(3)28-17/h4-5,8-10,19H,6-7,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 396.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 127249221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).