N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine

C10H14BrN3O — CID 126848820

IUPACN-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine
SMILESBrCCNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C10H14BrN3O/c11-3-4-12-10-6-8(13-7-14-10)9-2-1-5-15-9/h6-7,9H,1-5H2,(H,12,13,14)
InChIKeyLZKGXSNDRRFSPD-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.13
Rot. Bonds4

About N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine

N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 126848820) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID126848820
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine
SMILESBrCCNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C10H14BrN3O/c11-3-4-12-10-6-8(13-7-14-10)9-2-1-5-15-9/h6-7,9H,1-5H2,(H,12,13,14)
InChIKeyLZKGXSNDRRFSPD-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid
CID 126848795
methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate
CID 126849904
4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
CID 126848843
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-chloro-6-(oxan-2-yl)pyrimidine
CID 172993090
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
6-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 61241083
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine (CID 126848820) is N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine is BrCCNc1cc(C2CCCO2)ncn1.
What is the InChIKey of N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is LZKGXSNDRRFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-3-4-12-10-6-8(13-7-14-10)9-2-1-5-15-9/h6-7,9H,1-5H2,(H,12,13,14).
What are the key properties of N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine?
N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 272.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 126848820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).