N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide

C18H26N6O — CID 91787435

IUPACN-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(N(C)CCc3cnn(C)c3)nc(C)n2)C1
InChIInChI=1S/C18H26N6O/c1-12-20-17(15-7-16(8-15)22-13(2)25)9-18(21-12)23(3)6-5-14-10-19-24(4)11-14/h9-11,15-16H,5-8H2,1-4H3,(H,22,25)
InChIKeyROHAVLLHWDQZAP-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.58
Rot. Bonds6

About N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide

N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide (PubChem CID 91787435) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide
PubChem CID91787435
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(N(C)CCc3cnn(C)c3)nc(C)n2)C1
InChIInChI=1S/C18H26N6O/c1-12-20-17(15-7-16(8-15)22-13(2)25)9-18(21-12)23(3)6-5-14-10-19-24(4)11-14/h9-11,15-16H,5-8H2,1-4H3,(H,22,25)
InChIKeyROHAVLLHWDQZAP-UHFFFAOYSA-N
XLogP1.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide (CID 91787435) is N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2cc(N(C)CCc3cnn(C)c3)nc(C)n2)C1.
What is the InChIKey of N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide?
The InChIKey is ROHAVLLHWDQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-20-17(15-7-16(8-15)22-13(2)25)9-18(21-12)23(3)6-5-14-10-19-24(4)11-14/h9-11,15-16H,5-8H2,1-4H3,(H,22,25).
What are the key properties of N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide?
N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-6-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91787435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).