6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine

C14H22BrN3O — CID 114118302

IUPAC6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine
SMILESCOC1CCC(Nc2cc(Br)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C14H22BrN3O/c1-14(2,3)13-17-11(15)8-12(18-13)16-9-5-6-10(7-9)19-4/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyVHWVEBXBBRHMRE-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.52
Rot. Bonds3

About 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine

6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine (PubChem CID 114118302) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine
PubChem CID114118302
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine
SMILESCOC1CCC(Nc2cc(Br)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C14H22BrN3O/c1-14(2,3)13-17-11(15)8-12(18-13)16-9-5-6-10(7-9)19-4/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyVHWVEBXBBRHMRE-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 82456779
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
6-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-2,4-diamine
CID 103082047
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
4-methoxy-N-(3-methoxycyclopentyl)pyrimidin-2-amine
CID 103082114
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
2-tert-butyl-4-N-(1,1-dioxothian-4-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80960819
6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 106193958
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine (CID 114118302) is 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine is COC1CCC(Nc2cc(Br)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine?
The InChIKey is VHWVEBXBBRHMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-14(2,3)13-17-11(15)8-12(18-13)16-9-5-6-10(7-9)19-4/h8-10H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine?
6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 114118302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).