N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine

C21H26N4 — CID 122641169

IUPACN-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H26N4/c1-16(14-17-6-3-2-4-7-17)19-15-20(19)24-18-8-12-25(13-9-18)21-22-10-5-11-23-21/h2-7,10-11,14,18-20,24H,8-9,12-13,15H2,1H3/b16-14+/t19-,20+/m0/s1
InChIKeyQKFKHUVTZUXCQR-JQTHLGOZSA-N
MW334.47 g/mol
LogP3.53
Rot. Bonds5

About N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 122641169) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID122641169
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H26N4/c1-16(14-17-6-3-2-4-7-17)19-15-20(19)24-18-8-12-25(13-9-18)21-22-10-5-11-23-21/h2-7,10-11,14,18-20,24H,8-9,12-13,15H2,1H3/b16-14+/t19-,20+/m0/s1
InChIKeyQKFKHUVTZUXCQR-JQTHLGOZSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetic acid
CID 122641059
N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
CID 122641214
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 122641315
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 138677722
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 138677638
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
CID 138711292
2,2-dimethyl-3-[[4-[[(2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 138711790
3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
CID 145176328
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 160686068

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 122641169) is N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is QKFKHUVTZUXCQR-JQTHLGOZSA-N. The full InChI is InChI=1S/C21H26N4/c1-16(14-17-6-3-2-4-7-17)19-15-20(19)24-18-8-12-25(13-9-18)21-22-10-5-11-23-21/h2-7,10-11,14,18-20,24H,8-9,12-13,15H2,1H3/b16-14+/t19-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 122641169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).