N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine

C11H12BrN3O — CID 126848528

IUPACN-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine
SMILESBrCCCNc1cc(-c2ccoc2)ncn1
InChIInChI=1S/C11H12BrN3O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h2,5-8H,1,3-4H2,(H,13,14,15)
InChIKeyVLKGIGMUPDHEJO-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.93
Rot. Bonds5

About N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine

N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine (PubChem CID 126848528) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine
PubChem CID126848528
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC NameN-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine
SMILESBrCCCNc1cc(-c2ccoc2)ncn1
InChIInChI=1S/C11H12BrN3O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h2,5-8H,1,3-4H2,(H,13,14,15)
InChIKeyVLKGIGMUPDHEJO-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(furan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 126848508
6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine
CID 126848548
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
CID 126848519
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
6-(furan-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716707
3-[4-(6-bromohexoxy)phenyl]furan
CID 125472895
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
CID 118033881
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine (CID 126848528) is N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine is BrCCCNc1cc(-c2ccoc2)ncn1.
What is the InChIKey of N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is VLKGIGMUPDHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-3-1-4-13-11-6-10(14-8-15-11)9-2-5-16-7-9/h2,5-8H,1,3-4H2,(H,13,14,15).
What are the key properties of N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine?
N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-6-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 126848528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).