N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H28N4O2 — CID 126839302

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C19H28N4O2/c24-18(16-12-17(21-14-20-16)23-9-4-5-10-23)22-15-6-11-25-19(13-15)7-2-1-3-8-19/h12,14-15H,1-11,13H2,(H,22,24)
InChIKeyHMUOJPRIFPEYLQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.69
Rot. Bonds3

About N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 126839302) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID126839302
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C19H28N4O2/c24-18(16-12-17(21-14-20-16)23-9-4-5-10-23)22-15-6-11-25-19(13-15)7-2-1-3-8-19/h12,14-15H,1-11,13H2,(H,22,24)
InChIKeyHMUOJPRIFPEYLQ-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(6-(pyrrolidin-1-yl)pyrimidine-4-carboxamido)piperidine-1-carboxylate
CID 91628612
2-pyrrolidin-1-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidine-4-carboxamide
CID 136517614
US12514858, Example 54
CID 156885861
N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 136567605
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 68558978
2-tert-butyl-N-[1-[(1S,2R,4R)-2-(1-hydroxypropyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 68768872
2-tert-butyl-N-[1-[(1S,2S,4R)-2-(1-hydroxypropyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 68768874
6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide
CID 71123336
Methyl 4-[[(6-aminopyrimidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 71123339
Methyl 4-[[(6-aminopyrimidine-4-carbonyl)amino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 71123340
(4-aminopiperidin-1-yl)-[6-[[(2R)-oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546881
[6-(Oxan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 153939968

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 126839302) is N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)c1cc(N2CCCC2)ncn1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is HMUOJPRIFPEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(16-12-17(21-14-20-16)23-9-4-5-10-23)22-15-6-11-25-19(13-15)7-2-1-3-8-19/h12,14-15H,1-11,13H2,(H,22,24).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 126839302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).