5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine

C21H22N4O — CID 56639915

IUPAC5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m0/s1
InChIKeyHJWZUPRHNBJKHE-VQTJNVASSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds7

About 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine

5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine (PubChem CID 56639915) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
PubChem CID56639915
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m0/s1
InChIKeyHJWZUPRHNBJKHE-VQTJNVASSA-N
XLogP3.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
CID 66714821
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
3-[4-[(1S,2R)-2-[(2-aminopyrimidin-5-yl)methylamino]cyclopropyl]phenyl]phenol
CID 66714940

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine (CID 56639915) is 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine is Nc1ncc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is HJWZUPRHNBJKHE-VQTJNVASSA-N. The full InChI is InChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m0/s1.
What are the key properties of 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine?
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56639915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).