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

C17H22N4O3 — CID 112915320

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccco2)n1
InChIInChI=1S/C17H22N4O3/c1-13-11-15(20-16(19-13)18-12-14-3-2-8-22-14)21-6-4-17(5-7-21)23-9-10-24-17/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,18,19,20)
InChIKeyNELKSQLEROEKDC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.33
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine (PubChem CID 112915320) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
PubChem CID112915320
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccco2)n1
InChIInChI=1S/C17H22N4O3/c1-13-11-15(20-16(19-13)18-12-14-3-2-8-22-14)21-6-4-17(5-7-21)23-9-10-24-17/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,18,19,20)
InChIKeyNELKSQLEROEKDC-UHFFFAOYSA-N
XLogP2.33
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112918084
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911551
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922916
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112922874
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112922908
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
CID 112932556
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
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 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine (CID 112915320) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccco2)n1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The InChIKey is NELKSQLEROEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-11-15(20-16(19-13)18-12-14-3-2-8-22-14)21-6-4-17(5-7-21)23-9-10-24-17/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,18,19,20).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112915320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).