N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine

C10H13N3 — CID 142535241

IUPACN-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1ncnc2c1C=CCCC2
InChIInChI=1S/C10H13N3/c1-11-10-8-5-3-2-4-6-9(8)12-7-13-10/h3,5,7H,2,4,6H2,1H3,(H,11,12,13)
InChIKeyMQPFVNOYAAEKTC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.87
Rot. Bonds1

About N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine

N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 142535241) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine
PubChem CID142535241
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1ncnc2c1C=CCCC2
InChIInChI=1S/C10H13N3/c1-11-10-8-5-3-2-4-6-9(8)12-7-13-10/h3,5,7H,2,4,6H2,1H3,(H,11,12,13)
InChIKeyMQPFVNOYAAEKTC-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine (CID 142535241) is N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine is CNc1ncnc2c1C=CCCC2.
What is the InChIKey of N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is MQPFVNOYAAEKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-11-10-8-5-3-2-4-6-9(8)12-7-13-10/h3,5,7H,2,4,6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine?
N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142535241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).