5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine

C14H22BrN3O — CID 133440380

IUPAC5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
SMILESCCC(CC)C1CC(Nc2ncc(Br)cn2)CCO1
InChIInChI=1S/C14H22BrN3O/c1-3-10(4-2)13-7-12(5-6-19-13)18-14-16-8-11(15)9-17-14/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyLZWXBDRMUDRXKK-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.63
Rot. Bonds5

About 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine

5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine (PubChem CID 133440380) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
PubChem CID133440380
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
SMILESCCC(CC)C1CC(Nc2ncc(Br)cn2)CCO1
InChIInChI=1S/C14H22BrN3O/c1-3-10(4-2)13-7-12(5-6-19-13)18-14-16-8-11(15)9-17-14/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyLZWXBDRMUDRXKK-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
5-nitro-2-N-(2-pentan-3-yloxan-4-yl)pyrimidine-2,4-diamine
CID 133441656
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
CID 133461869

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine (CID 133440380) is 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine is CCC(CC)C1CC(Nc2ncc(Br)cn2)CCO1.
What is the InChIKey of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The InChIKey is LZWXBDRMUDRXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-10(4-2)13-7-12(5-6-19-13)18-14-16-8-11(15)9-17-14/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 133440380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).