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

C15H24N4O2 — CID 91945499

IUPACN-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11(2)12-10-13(14(20)16-6-9-21-3)18-15(17-12)19-7-4-5-8-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyKTTLPCPBRFFICU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds6

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

N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91945499) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91945499
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11(2)12-10-13(14(20)16-6-9-21-3)18-15(17-12)19-7-4-5-8-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyKTTLPCPBRFFICU-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
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

CID 70734720
CID 70734720
CID 70758590
CID 70758590
CID 71688584
CID 71688584
CID 71688607
CID 71688607
CID 71830556
CID 71830556
CID 71830565
CID 71830565
CID 71830568
CID 71830568
CID 71830615
CID 71830615
CID 71830697
CID 71830697
CID 72900082
CID 72900082
CID 91945484
CID 91945484
CID 91945493
CID 91945493

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91945499) is N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KTTLPCPBRFFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)12-10-13(14(20)16-6-9-21-3)18-15(17-12)19-7-4-5-8-19/h10-11H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91945499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).