1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine

C18H21N3 — CID 122095809

IUPAC1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-21-11-5-10-19-18(21)20-17-12-16(17)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,16-17H,5,10-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyYWJNQAZPBWUSCS-DLBZAZTESA-N
MW279.39 g/mol
LogP2.98
Rot. Bonds2

About 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095809) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095809
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-21-11-5-10-19-18(21)20-17-12-16(17)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,16-17H,5,10-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyYWJNQAZPBWUSCS-DLBZAZTESA-N
XLogP2.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095809) is 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1N[C@@H]1C[C@H]1c1cccc2ccccc12.
What is the InChIKey of 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is YWJNQAZPBWUSCS-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21N3/c1-21-11-5-10-19-18(21)20-17-12-16(17)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,16-17H,5,10-12H2,1H3,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).