2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C19H29N5O4 — CID 109325330

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C19H29N5O4/c1-15-14-16(17(25)20-4-7-23-8-10-26-11-9-23)22-18(21-15)24-5-2-19(3-6-24)27-12-13-28-19/h14H,2-13H2,1H3,(H,20,25)
InChIKeyQGFKUDDYMBYCBH-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.19
Rot. Bonds5

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109325330) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109325330
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C19H29N5O4/c1-15-14-16(17(25)20-4-7-23-8-10-26-11-9-23)22-18(21-15)24-5-2-19(3-6-24)27-12-13-28-19/h14H,2-13H2,1H3,(H,20,25)
InChIKeyQGFKUDDYMBYCBH-UHFFFAOYSA-N
XLogP0.19
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
2-(diethylamino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325331
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331800
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326179
N-(2,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331799
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109325330) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)nc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is QGFKUDDYMBYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-15-14-16(17(25)20-4-7-23-8-10-26-11-9-23)22-18(21-15)24-5-2-19(3-6-24)27-12-13-28-19/h14H,2-13H2,1H3,(H,20,25).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).