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

C14H18ClN3 — CID 122095848

IUPACN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-18-8-2-7-16-14(18)17-13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyRIFHYCNELCDXFN-QWHCGFSZSA-N
MW263.77 g/mol
LogP2.48
Rot. Bonds2

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

N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095848) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095848
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-18-8-2-7-16-14(18)17-13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyRIFHYCNELCDXFN-QWHCGFSZSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095841
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095809
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120671121
N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972624
N-cyclopropyl-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 130898492
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
N-(2-bicyclo[4.1.0]heptanyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 164654891
1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096152
1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 122098840
N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
CID 59458340
N-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096128

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095848) is N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1N[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is RIFHYCNELCDXFN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-18-8-2-7-16-14(18)17-13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).