N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C14H22N4O — CID 112695271

IUPACN-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccnc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H22N4O/c1-18-11-4-3-5-12(18)9-10(8-11)16-14-15-7-6-13(17-14)19-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyVDUZNQXUQWWYKK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.91
Rot. Bonds3

About N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 112695271) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID112695271
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccnc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H22N4O/c1-18-11-4-3-5-12(18)9-10(8-11)16-14-15-7-6-13(17-14)19-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyVDUZNQXUQWWYKK-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
CID 112695266
4-methoxy-N-(3-methoxycyclopentyl)pyrimidin-2-amine
CID 103082114
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
2-[2-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]ethanol
CID 133496350
N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 112637950
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 112695271) is N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is COc1ccnc(NC2CC3CCCC(C2)N3C)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VDUZNQXUQWWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-11-4-3-5-12(18)9-10(8-11)16-14-15-7-6-13(17-14)19-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 262.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 112695271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).