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

C15H18N4 — CID 107384948

IUPAC2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCc1ccnc(-c2ncc3c(n2)CCCCC3N)c1
InChIInChI=1S/C15H18N4/c1-10-6-7-17-14(8-10)15-18-9-11-12(16)4-2-3-5-13(11)19-15/h6-9,12H,2-5,16H2,1H3
InChIKeyVUTYVCFBIYCVNA-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.57
Rot. Bonds1

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

2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107384948) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107384948
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCc1ccnc(-c2ncc3c(n2)CCCCC3N)c1
InChIInChI=1S/C15H18N4/c1-10-6-7-17-14(8-10)15-18-9-11-12(16)4-2-3-5-13(11)19-15/h6-9,12H,2-5,16H2,1H3
InChIKeyVUTYVCFBIYCVNA-UHFFFAOYSA-N
XLogP2.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384794
2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106792974
2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861843
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384986
4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 63840648
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008871
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088
2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107925606
2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
CID 107384968

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107384948) is 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is Cc1ccnc(-c2ncc3c(n2)CCCCC3N)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is VUTYVCFBIYCVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-6-7-17-14(8-10)15-18-9-11-12(16)4-2-3-5-13(11)19-15/h6-9,12H,2-5,16H2,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 254.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107384948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).