N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H26N4O2 — CID 91945493

IUPACN-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-12(2)13-11-14(15(21)17-7-6-10-22-3)19-16(18-13)20-8-4-5-9-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyFPOFYSLHBOCOOI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds7

About N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91945493) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91945493
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-12(2)13-11-14(15(21)17-7-6-10-22-3)19-16(18-13)20-8-4-5-9-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyFPOFYSLHBOCOOI-UHFFFAOYSA-N
XLogP1.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91945493) is N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is FPOFYSLHBOCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)13-11-14(15(21)17-7-6-10-22-3)19-16(18-13)20-8-4-5-9-20/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91945493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).