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

C16H20N4 — CID 63351344

IUPACN-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccncc2)nc2c1CCCCC2
InChIInChI=1S/C16H20N4/c1-17-16-13-5-3-2-4-6-14(13)19-15(20-16)11-12-7-9-18-10-8-12/h7-10H,2-6,11H2,1H3,(H,17,19,20)
InChIKeyYOIAGVNEWHIIOW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.77
Rot. Bonds3

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

N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351344) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351344
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccncc2)nc2c1CCCCC2
InChIInChI=1S/C16H20N4/c1-17-16-13-5-3-2-4-6-14(13)19-15(20-16)11-12-7-9-18-10-8-12/h7-10H,2-6,11H2,1H3,(H,17,19,20)
InChIKeyYOIAGVNEWHIIOW-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351344) is N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CNc1nc(Cc2ccncc2)nc2c1CCCCC2.
What is the InChIKey of N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is YOIAGVNEWHIIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-16-13-5-3-2-4-6-14(13)19-15(20-16)11-12-7-9-18-10-8-12/h7-10H,2-6,11H2,1H3,(H,17,19,20).
What are the key properties of N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).