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

C19H23ClN4O2 — CID 112918084

IUPACN-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-12-17(24-8-6-19(7-9-24)25-10-11-26-19)23-18(22-14)21-13-15-2-4-16(20)5-3-15/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyUWBBEERXTNPRHS-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.39
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine (PubChem CID 112918084) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
PubChem CID112918084
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-12-17(24-8-6-19(7-9-24)25-10-11-26-19)23-18(22-14)21-13-15-2-4-16(20)5-3-15/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyUWBBEERXTNPRHS-UHFFFAOYSA-N
XLogP3.39
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915320
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911551
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109327801
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
1-[4-[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914848
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
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine (CID 112918084) is N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCC3(CC2)OCCO3)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine?
The InChIKey is UWBBEERXTNPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-12-17(24-8-6-19(7-9-24)25-10-11-26-19)23-18(22-14)21-13-15-2-4-16(20)5-3-15/h2-5,12H,6-11,13H2,1H3,(H,21,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine?
N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine has a molecular weight of 374.87 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112918084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).