N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine

C18H21ClN4O2 — CID 112922979

IUPACN-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2Cl)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H21ClN4O2/c1-13-12-16(21-15-5-3-2-4-14(15)19)22-17(20-13)23-8-6-18(7-9-23)24-10-11-25-18/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeyOXGMPNBSKXHDCA-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.53
Rot. Bonds3

About N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine

N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine (PubChem CID 112922979) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
PubChem CID112922979
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2Cl)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H21ClN4O2/c1-13-12-16(21-15-5-3-2-4-14(15)19)22-17(20-13)23-8-6-18(7-9-23)24-10-11-25-18/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeyOXGMPNBSKXHDCA-UHFFFAOYSA-N
XLogP3.53
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112923013
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922971
N-(2-chlorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923923
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109372937
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112922997
N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956678
N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914114
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
4-[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914801
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
8-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910200

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine (CID 112922979) is N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccccc2Cl)nc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine?
The InChIKey is OXGMPNBSKXHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13-12-16(21-15-5-3-2-4-14(15)19)22-17(20-13)23-8-6-18(7-9-23)24-10-11-25-18/h2-5,12H,6-11H2,1H3,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine?
N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine has a molecular weight of 360.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112922979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).