5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine

C12H16BrN3O — CID 106998950

IUPAC5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N(CC2CC2)C2CC2)ncc1Br
InChIInChI=1S/C12H16BrN3O/c1-17-11-10(13)6-14-12(15-11)16(9-4-5-9)7-8-2-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyXJBNFJOYFABARV-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.63
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine (PubChem CID 106998950) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
PubChem CID106998950
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N(CC2CC2)C2CC2)ncc1Br
InChIInChI=1S/C12H16BrN3O/c1-17-11-10(13)6-14-12(15-11)16(9-4-5-9)7-8-2-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyXJBNFJOYFABARV-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
CID 106997331
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 106997817
5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80845128
N-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83189085
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine (CID 106998950) is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine is COc1nc(N(CC2CC2)C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is XJBNFJOYFABARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-17-11-10(13)6-14-12(15-11)16(9-4-5-9)7-8-2-3-8/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 298.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).