N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H23N3 — CID 116517868

IUPACN-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(C)cn1)C1CC1c1ccccc1
InChIInChI=1S/C18H23N3/c1-3-9-19-17(18-20-11-13(2)12-21-18)16-10-15(16)14-7-5-4-6-8-14/h4-8,11-12,15-17,19H,3,9-10H2,1-2H3
InChIKeyVFTZLXWNMBQYCP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.63
Rot. Bonds6

About N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 116517868) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID116517868
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(C)cn1)C1CC1c1ccccc1
InChIInChI=1S/C18H23N3/c1-3-9-19-17(18-20-11-13(2)12-21-18)16-10-15(16)14-7-5-4-6-8-14/h4-8,11-12,15-17,19H,3,9-10H2,1-2H3
InChIKeyVFTZLXWNMBQYCP-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105188964
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methanamine
CID 116517865
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517426
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 116517868) is N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ncc(C)cn1)C1CC1c1ccccc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is VFTZLXWNMBQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-9-19-17(18-20-11-13(2)12-21-18)16-10-15(16)14-7-5-4-6-8-14/h4-8,11-12,15-17,19H,3,9-10H2,1-2H3.
What are the key properties of N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 116517868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).