(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine

C22H32N4O — CID 70281318

IUPAC(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1.COc1cccc2c1CC(CN)CC2
InChIInChI=1S/C12H17NO.C10H15N3/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2-4,9H,5-8,13H2,1H3;2,5-6,9H,3-4,7-8H2,1H3
InChIKeyJRYWZYXOMXUUHS-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.47
Rot. Bonds3

About (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine

(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 70281318) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID70281318
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1.COc1cccc2c1CC(CN)CC2
InChIInChI=1S/C12H17NO.C10H15N3/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2-4,9H,5-8,13H2,1H3;2,5-6,9H,3-4,7-8H2,1H3
InChIKeyJRYWZYXOMXUUHS-UHFFFAOYSA-N
XLogP3.47
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine (CID 70281318) is (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2ncccn2)CC1.COc1cccc2c1CC(CN)CC2.
What is the InChIKey of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is JRYWZYXOMXUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C10H15N3/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2-4,9H,5-8,13H2,1H3;2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine?
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 368.52 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 70281318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).