N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C14H17N5 — CID 107385131

IUPACN-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ccncn3)ncc21
InChIInChI=1S/C14H17N5/c1-15-11-4-2-3-5-12-10(11)8-17-14(19-12)13-6-7-16-9-18-13/h6-9,11,15H,2-5H2,1H3
InChIKeyUCZLIVAJDVZBBC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.92
Rot. Bonds2

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

N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385131) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385131
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ccncn3)ncc21
InChIInChI=1S/C14H17N5/c1-15-11-4-2-3-5-12-10(11)8-17-14(19-12)13-6-7-16-9-18-13/h6-9,11,15H,2-5H2,1H3
InChIKeyUCZLIVAJDVZBBC-UHFFFAOYSA-N
XLogP1.92
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385131) is N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CNC1CCCCc2nc(-c3ccncn3)ncc21.
What is the InChIKey of N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is UCZLIVAJDVZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-15-11-4-2-3-5-12-10(11)8-17-14(19-12)13-6-7-16-9-18-13/h6-9,11,15H,2-5H2,1H3.
What are the key properties of N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 255.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).