2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C21H28N4O2 — CID 112922971

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C21H28N4O2/c1-15(2)17-4-6-18(7-5-17)23-19-14-16(3)22-20(24-19)25-10-8-21(9-11-25)26-12-13-27-21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyIIJPCNLTNLAVAN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.00
Rot. Bonds4

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112922971) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112922971
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C21H28N4O2/c1-15(2)17-4-6-18(7-5-17)23-19-14-16(3)22-20(24-19)25-10-8-21(9-11-25)26-12-13-27-21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyIIJPCNLTNLAVAN-UHFFFAOYSA-N
XLogP4.00
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.00
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-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112922997
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112923013
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264
N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
CID 112922979
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
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 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 112922971) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is IIJPCNLTNLAVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)17-4-6-18(7-5-17)23-19-14-16(3)22-20(24-19)25-10-8-21(9-11-25)26-12-13-27-21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112922971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).