N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine

C19H24N4O2 — CID 112897394

IUPACN-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nccc(N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C19H24N4O2/c1-14-3-4-15(2)16(13-14)21-18-20-8-5-17(22-18)23-9-6-19(7-10-23)24-11-12-25-19/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,21,22)
InChIKeyLJZVUCAFVQRJBU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.18
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine

N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine (PubChem CID 112897394) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
PubChem CID112897394
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nccc(N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C19H24N4O2/c1-14-3-4-15(2)16(13-14)21-18-20-8-5-17(22-18)23-9-6-19(7-10-23)24-11-12-25-19/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,21,22)
InChIKeyLJZVUCAFVQRJBU-UHFFFAOYSA-N
XLogP3.18
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956495
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
N-tert-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897374
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
CID 112897402
N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261584
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897280
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine (CID 112897394) is N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine is Cc1ccc(C)c(Nc2nccc(N3CCC4(CC3)OCCO4)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The InChIKey is LJZVUCAFVQRJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-3-4-15(2)16(13-14)21-18-20-8-5-17(22-18)23-9-6-19(7-10-23)24-11-12-25-19/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine is sourced from PubChem (CID 112897394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).