N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H19N3 — CID 120665872

IUPACN-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2c([C@@H]3C[C@H]3NC3=NCCCN3)cccc2c1
InChIInChI=1S/C17H19N3/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16(15)20-17-18-9-4-10-19-17/h1-3,5-8,15-16H,4,9-11H2,(H2,18,19,20)/t15-,16+/m0/s1
InChIKeyWBHKVQMHYHQFEI-JKSUJKDBSA-N
MW265.36 g/mol
LogP2.63
Rot. Bonds2

About N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 120665872) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID120665872
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2c([C@@H]3C[C@H]3NC3=NCCCN3)cccc2c1
InChIInChI=1S/C17H19N3/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16(15)20-17-18-9-4-10-19-17/h1-3,5-8,15-16H,4,9-11H2,(H2,18,19,20)/t15-,16+/m0/s1
InChIKeyWBHKVQMHYHQFEI-JKSUJKDBSA-N
XLogP2.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 120665872) is N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc2c([C@@H]3C[C@H]3NC3=NCCCN3)cccc2c1.
What is the InChIKey of N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is WBHKVQMHYHQFEI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16(15)20-17-18-9-4-10-19-17/h1-3,5-8,15-16H,4,9-11H2,(H2,18,19,20)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 120665872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).