N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide

C19H26N6O2 — CID 167181375

IUPACN-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCNc1cc(C)c(Nc2ncc(C)c(N(C(C)=O)C3CCOCC3)n2)cn1
InChIInChI=1S/C19H26N6O2/c1-12-9-17(20-4)21-11-16(12)23-19-22-10-13(2)18(24-19)25(14(3)26)15-5-7-27-8-6-15/h9-11,15H,5-8H2,1-4H3,(H,20,21)(H,22,23,24)
InChIKeyLPPWZWQRIRGFJM-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.81
Rot. Bonds5

About N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide

N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 167181375) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID167181375
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCNc1cc(C)c(Nc2ncc(C)c(N(C(C)=O)C3CCOCC3)n2)cn1
InChIInChI=1S/C19H26N6O2/c1-12-9-17(20-4)21-11-16(12)23-19-22-10-13(2)18(24-19)25(14(3)26)15-5-7-27-8-6-15/h9-11,15H,5-8H2,1-4H3,(H,20,21)(H,22,23,24)
InChIKeyLPPWZWQRIRGFJM-UHFFFAOYSA-N
XLogP2.81
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide (CID 167181375) is N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide is CNc1cc(C)c(Nc2ncc(C)c(N(C(C)=O)C3CCOCC3)n2)cn1.
What is the InChIKey of N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is LPPWZWQRIRGFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-9-17(20-4)21-11-16(12)23-19-22-10-13(2)18(24-19)25(14(3)26)15-5-7-27-8-6-15/h9-11,15H,5-8H2,1-4H3,(H,20,21)(H,22,23,24).
What are the key properties of N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide?
N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 167181375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).