N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide

C15H24N4O2 — CID 91792104

IUPACN-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-16-15(21)9-19(2)14-8-13(17-10-18-14)11-6-12(20)7-11/h8,10-12,20H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyIAXUDSSUMKFBIG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds7

About N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide

N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 91792104) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
PubChem CID91792104
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-16-15(21)9-19(2)14-8-13(17-10-18-14)11-6-12(20)7-11/h8,10-12,20H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyIAXUDSSUMKFBIG-UHFFFAOYSA-N
XLogP1.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91778387
3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783030
3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91782924
3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91774761
N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
CID 134710890
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide (CID 91792104) is N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide is CCCCNC(=O)CN(C)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is IAXUDSSUMKFBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-5-16-15(21)9-19(2)14-8-13(17-10-18-14)11-6-12(20)7-11/h8,10-12,20H,3-7,9H2,1-2H3,(H,16,21).
What are the key properties of N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide?
N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 91792104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).