N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide

C20H33N5O — CID 163400809

IUPACN-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide
SMILESCCCCCNC(=O)Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1
InChIInChI=1S/C20H33N5O/c1-4-5-6-9-21-19(26)10-16-11-22-20(23-12-16)25-17-7-8-18(25)14-24(13-17)15(2)3/h11-12,15,17-18H,4-10,13-14H2,1-3H3,(H,21,26)
InChIKeySLGNYWRGESTACL-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.39
Rot. Bonds8

About N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide

N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide (PubChem CID 163400809) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide
PubChem CID163400809
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide
SMILESCCCCCNC(=O)Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1
InChIInChI=1S/C20H33N5O/c1-4-5-6-9-21-19(26)10-16-11-22-20(23-12-16)25-17-7-8-18(25)14-24(13-17)15(2)3/h11-12,15,17-18H,4-10,13-14H2,1-3H3,(H,21,26)
InChIKeySLGNYWRGESTACL-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
2-methoxy-N-[6-[4-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]hexyl]acetamide
CID 167109842
8-[5-(1-ethylpiperidin-4-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methyl-1-spiro[3.3]heptan-2-ylpropan-1-one
CID 155740257
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
1-[4-[4-methyl-2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]cyclohexyl]ethanone
CID 155741253
acetaldehyde;N-methyl-N-[[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]methyl]-1-spiro[3.3]heptan-2-ylmethanamine
CID 163401569
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
8-[5-(cyclohexen-1-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methylpropanal
CID 155740614
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide (CID 163400809) is N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide is CCCCCNC(=O)Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1.
What is the InChIKey of N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide?
The InChIKey is SLGNYWRGESTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-5-6-9-21-19(26)10-16-11-22-20(23-12-16)25-17-7-8-18(25)14-24(13-17)15(2)3/h11-12,15,17-18H,4-10,13-14H2,1-3H3,(H,21,26).
What are the key properties of N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide?
N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 163400809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).