N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

C20H25N5O3 — CID 109309978

IUPACN-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-24(2)16-5-3-15(4-6-16)22-18(26)17-7-10-21-19(23-17)25-11-8-20(9-12-25)27-13-14-28-20/h3-7,10H,8-9,11-14H2,1-2H3,(H,22,26)
InChIKeyMBOZJHLURBCQII-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (PubChem CID 109309978) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
PubChem CID109309978
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-24(2)16-5-3-15(4-6-16)22-18(26)17-7-10-21-19(23-17)25-11-8-20(9-12-25)27-13-14-28-20/h3-7,10H,8-9,11-14H2,1-2H3,(H,22,26)
InChIKeyMBOZJHLURBCQII-UHFFFAOYSA-N
XLogP2.14
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309972
N-[4-(dimethylamino)phenyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302794
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-dipropylpyrimidine-4-carboxamide
CID 109309927
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306452
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (CID 109309978) is N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is CN(C)c1ccc(NC(=O)c2ccnc(N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The InChIKey is MBOZJHLURBCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(2)16-5-3-15(4-6-16)22-18(26)17-7-10-21-19(23-17)25-11-8-20(9-12-25)27-13-14-28-20/h3-7,10H,8-9,11-14H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).