N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide

C15H25N5O — CID 171998128

IUPACN-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
SMILESCc1cncnc1N1CC(N(C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H25N5O/c1-11-6-16-10-17-14(11)20-7-12(8-20)19(5)9-13(21)18-15(2,3)4/h6,10,12H,7-9H2,1-5H3,(H,18,21)
InChIKeyORMVPKOXKLGHAE-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.82
Rot. Bonds4

About N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide

N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide (PubChem CID 171998128) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
PubChem CID171998128
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
SMILESCc1cncnc1N1CC(N(C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H25N5O/c1-11-6-16-10-17-14(11)20-7-12(8-20)19(5)9-13(21)18-15(2,3)4/h6,10,12H,7-9H2,1-5H3,(H,18,21)
InChIKeyORMVPKOXKLGHAE-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide (CID 171998128) is N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide is Cc1cncnc1N1CC(N(C)CC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The InChIKey is ORMVPKOXKLGHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-6-16-10-17-14(11)20-7-12(8-20)19(5)9-13(21)18-15(2,3)4/h6,10,12H,7-9H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide is sourced from PubChem (CID 171998128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).