2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

C16H18N2O — CID 129389299

IUPAC2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESCO[C@H](C1=NCCCN1)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O/c1-19-15(16-17-10-5-11-18-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyXMHGVPIXFSJNLB-HNNXBMFYSA-N
MW254.33 g/mol
LogP2.92
Rot. Bonds3

About 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 129389299) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID129389299
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESCO[C@H](C1=NCCCN1)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O/c1-19-15(16-17-10-5-11-18-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyXMHGVPIXFSJNLB-HNNXBMFYSA-N
XLogP2.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)thiophen-3-yl]methanethiol
CID 87747033
1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylmethanamine
CID 82023568
trimethoxy(1-naphthalen-1-ylethyl)silane
CID 90121509
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
N-methoxy-N-methyl-2-naphthalen-1-ylpropan-1-amine
CID 56988460
3-(1-naphthalen-1-ylethylamino)piperidin-2-one
CID 62094476
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
13-[(S)-methoxy(naphthalen-1-yl)methyl]-15-methyl-12-azatetracyclo[8.6.2.24,7.011,16]icosa-1(16),4,6,10,12,14,17,19-octaene
CID 122399333
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (CID 129389299) is 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is CO[C@H](C1=NCCCN1)c1cccc2ccccc12.
What is the InChIKey of 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XMHGVPIXFSJNLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15(16-17-10-5-11-18-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 254.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 129389299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).