N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C15H16N6 — CID 83185756

IUPACN-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-n2nnc3ccccc32)ncc1CNC1CC1
InChIInChI=1S/C15H16N6/c1-10-11(8-16-12-6-7-12)9-17-15(18-10)21-14-5-3-2-4-13(14)19-20-21/h2-5,9,12,16H,6-8H2,1H3
InChIKeyHWXCPVQUSZCBQN-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.77
Rot. Bonds4

About N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83185756) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83185756
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-n2nnc3ccccc32)ncc1CNC1CC1
InChIInChI=1S/C15H16N6/c1-10-11(8-16-12-6-7-12)9-17-15(18-10)21-14-5-3-2-4-13(14)19-20-21/h2-5,9,12,16H,6-8H2,1H3
InChIKeyHWXCPVQUSZCBQN-UHFFFAOYSA-N
XLogP1.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
N-[[3-(benzotriazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074683
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83189031
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-[[4-(benzotriazol-1-yl)-3-chlorophenyl]methyl]cyclopropanamine
CID 81144575
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114412620

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83185756) is N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(-n2nnc3ccccc32)ncc1CNC1CC1.
What is the InChIKey of N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is HWXCPVQUSZCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-11(8-16-12-6-7-12)9-17-15(18-10)21-14-5-3-2-4-13(14)19-20-21/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83185756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).