5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine

C10H13BrClN3O2 — CID 106196985

IUPAC5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine
SMILESCC1(C)OCC(CNc2nc(Cl)ncc2Br)O1
InChIInChI=1S/C10H13BrClN3O2/c1-10(2)16-5-6(17-10)3-13-8-7(11)4-14-9(12)15-8/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyQXRXXBPUTKVVRQ-UHFFFAOYSA-N
MW322.59 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine (PubChem CID 106196985) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine
PubChem CID106196985
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine
SMILESCC1(C)OCC(CNc2nc(Cl)ncc2Br)O1
InChIInChI=1S/C10H13BrClN3O2/c1-10(2)16-5-6(17-10)3-13-8-7(11)4-14-9(12)15-8/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyQXRXXBPUTKVVRQ-UHFFFAOYSA-N
XLogP2.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine (CID 106196985) is 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine is CC1(C)OCC(CNc2nc(Cl)ncc2Br)O1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is QXRXXBPUTKVVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-10(2)16-5-6(17-10)3-13-8-7(11)4-14-9(12)15-8/h4,6H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 322.59 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106196985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).