6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

C19H21Cl2N5O2 — CID 155690425

IUPAC6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CCOC3)CC2)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5O2/c20-12-3-1-2-11(14(12)21)13-15(17(23)27)24-18(25-16(13)22)26-7-4-19(5-8-26)6-9-28-10-19/h1-3H,4-10H2,(H2,23,27)(H2,22,24,25)
InChIKeyYRZOYPQHBULMKD-UHFFFAOYSA-N
MW422.32 g/mol
LogP3.14
Rot. Bonds3

About 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (PubChem CID 155690425) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
PubChem CID155690425
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CCOC3)CC2)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2N5O2/c20-12-3-1-2-11(14(12)21)13-15(17(23)27)24-18(25-16(13)22)26-7-4-19(5-8-26)6-9-28-10-19/h1-3H,4-10H2,(H2,23,27)(H2,22,24,25)
InChIKeyYRZOYPQHBULMKD-UHFFFAOYSA-N
XLogP3.14
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690377
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
6-amino-2-[(3S)-3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095685
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089597
5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
CID 155089518
8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
CID 138553209
2-[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089393
6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934
tert-butyl 2-[1-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]acetate
CID 158451234
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805632
3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
CID 166933352

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (CID 155690425) is 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC3(CCOC3)CC2)nc(N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The InChIKey is YRZOYPQHBULMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c20-12-3-1-2-11(14(12)21)13-15(17(23)27)24-18(25-16(13)22)26-7-4-19(5-8-26)6-9-28-10-19/h1-3H,4-10H2,(H2,23,27)(H2,22,24,25).
What are the key properties of 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155690425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).