2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H20N4O — CID 114938362

IUPAC2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)nc2)nc2c1CCCCC2
InChIInChI=1S/C16H20N4O/c1-17-16-12-6-4-3-5-7-13(12)19-15(20-16)11-8-9-14(21-2)18-10-11/h8-10H,3-7H2,1-2H3,(H,17,19,20)
InChIKeyJSPNDEMGINSQPO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 114938362) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID114938362
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)nc2)nc2c1CCCCC2
InChIInChI=1S/C16H20N4O/c1-17-16-12-6-4-3-5-7-13(12)19-15(20-16)11-8-9-14(21-2)18-10-11/h8-10H,3-7H2,1-2H3,(H,17,19,20)
InChIKeyJSPNDEMGINSQPO-UHFFFAOYSA-N
XLogP2.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine with MolForge

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Related Compounds

[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351822
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 114938397
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81148282
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 114938362) is 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CNc1nc(-c2ccc(OC)nc2)nc2c1CCCCC2.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is JSPNDEMGINSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-16-12-6-4-3-5-7-13(12)19-15(20-16)11-8-9-14(21-2)18-10-11/h8-10H,3-7H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 114938362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).