N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine

C17H19BrN4O2 — CID 112862737

IUPACN-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
SMILESBrc1cccc(Nc2cc(N3CCC4(CC3)OCCO4)ncn2)c1
InChIInChI=1S/C17H19BrN4O2/c18-13-2-1-3-14(10-13)21-15-11-16(20-12-19-15)22-6-4-17(5-7-22)23-8-9-24-17/h1-3,10-12H,4-9H2,(H,19,20,21)
InChIKeySFFYMFQHNPANHU-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.33
Rot. Bonds3

About N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine

N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine (PubChem CID 112862737) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
PubChem CID112862737
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
SMILESBrc1cccc(Nc2cc(N3CCC4(CC3)OCCO4)ncn2)c1
InChIInChI=1S/C17H19BrN4O2/c18-13-2-1-3-14(10-13)21-15-11-16(20-12-19-15)22-6-4-17(5-7-22)23-8-9-24-17/h1-3,10-12H,4-9H2,(H,19,20,21)
InChIKeySFFYMFQHNPANHU-UHFFFAOYSA-N
XLogP3.33
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]benzoate
CID 112862728
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112897545
1-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858514
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112855305
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352525
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine (CID 112862737) is N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine is Brc1cccc(Nc2cc(N3CCC4(CC3)OCCO4)ncn2)c1.
What is the InChIKey of N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine?
The InChIKey is SFFYMFQHNPANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-13-2-1-3-14(10-13)21-15-11-16(20-12-19-15)22-6-4-17(5-7-22)23-8-9-24-17/h1-3,10-12H,4-9H2,(H,19,20,21).
What are the key properties of N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine?
N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine has a molecular weight of 391.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).