5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine

C14H21BrN4O — CID 106998335

IUPAC5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC2CCCCN2)C2CC2)ncc1Br
InChIInChI=1S/C14H21BrN4O/c1-20-13-12(15)8-17-14(18-13)19(11-5-6-11)9-10-4-2-3-7-16-10/h8,10-11,16H,2-7,9H2,1H3
InChIKeyQXQQHHBNLKRAMB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.36
Rot. Bonds5

About 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine

5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106998335) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106998335
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC2CCCCN2)C2CC2)ncc1Br
InChIInChI=1S/C14H21BrN4O/c1-20-13-12(15)8-17-14(18-13)19(11-5-6-11)9-10-4-2-3-7-16-10/h8,10-11,16H,2-7,9H2,1H3
InChIKeyQXQQHHBNLKRAMB-UHFFFAOYSA-N
XLogP2.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
CID 106998950
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
N-cyclopropyl-4-methoxy-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640968
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
CID 144983920
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine (CID 106998335) is 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine is COc1nc(N(CC2CCCCN2)C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is QXQQHHBNLKRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-20-13-12(15)8-17-14(18-13)19(11-5-6-11)9-10-4-2-3-7-16-10/h8,10-11,16H,2-7,9H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 341.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).