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

{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(6-isobutyl-2-methylpyrimidin-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70734720
N-methyl-6-(propoxyacetyl)-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70758590
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
N-[2-(diethylamino)ethyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830556
N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830565
6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830568
N-(2-methoxyethyl)-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830615
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
(3S*,4R*)-1-[(6-isobutyl-2-methylpyrimidin-4-yl)carbonyl]-4-isopropyl-N,N-dimethylpyrrolidin-3-amine
CID 72900082
N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945484
N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
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).