N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine

C18H17N3 — CID 62756229

IUPACN-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-c3ncc(CNC4CC4)cn3)ccc2c1
InChIInChI=1S/C18H17N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-6,9,11-12,17,19H,7-8,10H2
InChIKeyDGLHBLHPECATTC-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.55
Rot. Bonds4

About N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine

N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine (PubChem CID 62756229) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
PubChem CID62756229
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-c3ncc(CNC4CC4)cn3)ccc2c1
InChIInChI=1S/C18H17N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-6,9,11-12,17,19H,7-8,10H2
InChIKeyDGLHBLHPECATTC-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine
CID 75257204
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107924211
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829

Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine (CID 62756229) is N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine is c1ccc2cc(-c3ncc(CNC4CC4)cn3)ccc2c1.
What is the InChIKey of N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The InChIKey is DGLHBLHPECATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-6,9,11-12,17,19H,7-8,10H2.
What are the key properties of N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine?
N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine has a molecular weight of 275.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62756229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).